Methylcyclopropane
PubChem CID
11657
Structure
Molecular Formula
Synonyms
- METHYLCYCLOPROPANE
- Cyclopropane, methyl-
- 594-11-6
- 1-Methylcyclopropane
- EINECS 209-825-2
Molecular Weight
56.11 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-27
- Modify:2025-01-11
Chemical Structure Depiction
COD records with this CID as component
methylcyclopropane
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C4H8/c1-4-2-3-4/h4H,2-3H2,1H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
VNXBKJFUJUWOCW-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC1CC1
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C4H8
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- 1-MC propane
- 1-methylcyclopropane
- methylcyclopropane
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
56.11 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
1.9
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
56.062600255 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
56.062600255 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
0 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
4
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
19.2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Standard non-polar
415
Semi-standard non-polar
414.5
- Coriolis coupling
- Schoenflies notation
- Atomic environment
- Boiling point
- Bond type
- Centrifugal distortion
- Chemical bond
- Density
- Dissociation energy
- Energy
- Equilibrium structure
- Fusion temperature
- Heat of sublimation
- Hindering potential
- Internuclear distance
- Melting temperature
- Molecular structure
- Moment of inertia
- Nuclear quadrupole coupling
- Nuclear quadrupole moment
- Phase transition
- Point group
- Rotation-vibration spectrum
- Rotational excitation cross section
- Thermal expansion coefficient
- Transition enthalpy
- Vapor pressure
- Vibrational mode frequency
Solvents -> Aliphatics, Saturated (<C12)
1D NMR Spectra
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
EPA TSCA Commercial Activity Status
Cyclopropane, methyl-: ACTIVE
See Ethylcyclopropane.
Neurotoxin - Acute solvent syndrome
Associated Occupational Diseases with Exposure to the Compound
Solvents, acute toxic effect [Category: Acute Poisoning]
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=VNXBKJFUJUWOCW-UHFFFAOYSA-N
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=JJCDKLVWTAIALW-UHFFFAOYSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/Methylcyclopropanehttps://commonchemistry.cas.org/detail?cas_rn=594-11-6
- ChemIDplus1-Methylcyclopropanehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0000594116ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA Chemicals under the TSCACyclopropane, methyl-https://www.epa.gov/chemicals-under-tscaEPA TSCA Classificationhttps://www.epa.gov/tsca-inventory
- EPA DSSToxCyclopropane, methyl-https://comptox.epa.gov/dashboard/DTXSID5060481CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-noticeMethylcyclopropanehttps://echa.europa.eu/substance-information/-/substanceinfo/100.008.934
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingMethylcyclopropanehttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/LK35EZ3VK8
- Crystallography Open Database (COD)LICENSEAll data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License. Users of the data should acknowledge the original authors of the structural data.https://creativecommons.org/publicdomain/zero/1.0/
- Haz-Map, Information on Hazardous Chemicals and Occupational DiseasesLICENSECopyright (c) 2022 Haz-Map(R). All rights reserved. Unless otherwise indicated, all materials from Haz-Map are copyrighted by Haz-Map(R). No part of these materials, either text or image may be used for any purpose other than for personal use. Therefore, reproduction, modification, storage in a retrieval system or retransmission, in any form or by any means, electronic, mechanical or otherwise, for reasons other than personal use, is strictly prohibited without prior written permission.https://haz-map.com/About1-Methylcyclopropanehttps://haz-map.com/Agents/13536
- Japan Chemical Substance Dictionary (Nikkaji)
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawMethylcyclopropanehttp://www.nist.gov/srd/nist1a.cfm
- NMRShiftDB
- SpectraBaseCYCLOPROPANE, METHYL-https://spectrabase.com/spectrum/3J7WAXIgo78Methyl-cyclopropanehttps://spectrabase.com/spectrum/1nqLLWAAQDKMethylcyclopropanehttps://spectrabase.com/spectrum/Fzl2iur2p7a
- Springer Nature
- SpringerMaterials
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- Wikidatamethylcyclopropanehttps://www.wikidata.org/wiki/Q2249673
- WikipediaMorpholinehttps://en.wikipedia.org/wiki/MorpholineMethylcyclopropanehttps://en.wikipedia.org/wiki/Methylcyclopropane
- Wiley
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.html1-methylcyclopropanehttps://www.ncbi.nlm.nih.gov/mesh/67105498
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- EPA Substance Registry ServicesEPA SRS List Classificationhttps://sor.epa.gov/sor_internet/registry/substreg/LandingPage.do
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 403400389https://pubchem.ncbi.nlm.nih.gov/substance/403400389SID 440330139https://pubchem.ncbi.nlm.nih.gov/substance/440330139
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