N-(2,3-Dihydro-1H-inden-4-yl)acetamide
PubChem CID
12683814
Structure
Molecular Formula
Synonyms
- 77802-37-0
- N-(2,3-Dihydro-1H-inden-4-yl)acetamide
- N-Indan-4-ylacetamide
- DTXSID40506798
- N-(indan-4-yl)acetamide
Molecular Weight
175.23 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2007-02-08
- Modify:2025-01-18
Chemical Structure Depiction
N-(2,3-dihydro-1H-inden-4-yl)acetamide
Computed by Lexichem TK 2.7.0 (PubChem release 2021.05.07)
InChI=1S/C11H13NO/c1-8(13)12-11-7-3-5-9-4-2-6-10(9)11/h3,5,7H,2,4,6H2,1H3,(H,12,13)
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
LVVKZNOWQZDHEA-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
CC(=O)NC1=CC=CC2=C1CCC2
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C11H13NO
Computed by PubChem 2.1 (PubChem release 2021.05.07)
77802-37-0
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
175.23 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
1.9
Reference
Computed by XLogP3 3.0 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Acceptor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Rotatable Bond Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Exact Mass
Property Value
175.099714038 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
175.099714038 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
29.1 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Heavy Atom Count
Property Value
13
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
202
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
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 2010.01.29)
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.
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
PubMed Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=LVVKZNOWQZDHEA-UHFFFAOYSA-N
- EPA DSSToxN-(2,3-Dihydro-1H-inden-4-yl)acetamidehttps://comptox.epa.gov/dashboard/DTXSID40506798
- Springer Nature
- WikidataN-(2,3-Dihydro-1H-inden-4-yl)acetamidehttps://www.wikidata.org/wiki/Q82362731
- PubChem
- PATENTSCOPE (WIPO)SID 404231362https://pubchem.ncbi.nlm.nih.gov/substance/404231362
CONTENTS