2-Cyano-N-ethylacetamide
PubChem CID
270362
Structure
Molecular Formula
Synonyms
- 2-cyano-n-ethylacetamide
- 15029-36-4
- N1-ETHYL-2-CYANOACETAMIDE
- Acetamide, 2-cyano-N-ethyl-
- 2-cyano-N-ethyl-acetamide
Molecular Weight
112.13 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2005-03-26
- Modify:2025-01-11
Chemical Structure Depiction
2-cyano-N-ethylacetamide
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C5H8N2O/c1-2-7-5(8)3-4-6/h2-3H2,1H3,(H,7,8)
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
VARXTXAOJGBDDV-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CCNC(=O)CC#N
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C5H8N2O
Computed by PubChem 2.2 (PubChem release 2024.11.20)
- 2-cyano-n-ethylacetamide
- 15029-36-4
- N1-ETHYL-2-CYANOACETAMIDE
- Acetamide, 2-cyano-N-ethyl-
- 2-cyano-N-ethyl-acetamide
- MFCD00118415
- CHEMBL2333145
- DTXSID30296939
- NSC 112760
- Acetamide,2-cyano-N-ethyl-
- 3-(Ethylamino)-3-oxopropanenitrile
- N-ethylcyanoacetamide
- NSC112760
- N-ethyl cyanoacetamide
- SCHEMBL215502
- DTXCID50248076
- VARXTXAOJGBDDV-UHFFFAOYSA-N
- ALBB-023461
- BDBM50428731
- STL481973
- 2-Cyano-N-ethylacetamide, AldrichCPR
- AKOS000161373
- NSC-112760
- s10551
- LS-07385
- SY046508
- DB-026790
- CS-0141694
- J-509225
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
112.13 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
-0.2
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
112.063662883 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
112.063662883 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
52.9 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
8
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
122
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
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)
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)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=VARXTXAOJGBDDV-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/4.0/2-Cyano-N-ethylacetamidehttps://commonchemistry.cas.org/detail?cas_rn=15029-36-4
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuse
- EPA DSSTox2-cyano-n-ethylacetamidehttps://comptox.epa.gov/dashboard/DTXSID30296939CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.htmlChEMBL Protein Target Treehttps://www.ebi.ac.uk/chembl/g/#browse/targets
- Springer Nature
- Wikidata2-cyano-n-ethylacetamidehttps://www.wikidata.org/wiki/Q82037777
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388394229https://pubchem.ncbi.nlm.nih.gov/substance/388394229
CONTENTS