2-(1-oxo-2,3-dihydroinden-4-yl)propanamide

C12H13NO2 — CID 57115120

IUPAC2-(1-oxo-2,3-dihydroinden-4-yl)propanamide
SMILESCC(C(N)=O)c1cccc2c1CCC2=O
InChIInChI=1S/C12H13NO2/c1-7(12(13)15)8-3-2-4-10-9(8)5-6-11(10)14/h2-4,7H,5-6H2,1H3,(H2,13,15)
InChIKeyQZGPIZHLSJIAAZ-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.40
Rot. Bonds2

About 2-(1-oxo-2,3-dihydroinden-4-yl)propanamide

2-(1-oxo-2,3-dihydroinden-4-yl)propanamide (PubChem CID 57115120) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(1-oxo-2,3-dihydroinden-4-yl)propanamide.

Molecular Properties

Compound Name2-(1-oxo-2,3-dihydroinden-4-yl)propanamide
PubChem CID57115120
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-(1-oxo-2,3-dihydroinden-4-yl)propanamide
SMILESCC(C(N)=O)c1cccc2c1CCC2=O
InChIInChI=1S/C12H13NO2/c1-7(12(13)15)8-3-2-4-10-9(8)5-6-11(10)14/h2-4,7H,5-6H2,1H3,(H2,13,15)
InChIKeyQZGPIZHLSJIAAZ-UHFFFAOYSA-N
XLogP1.40
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2,3-dihydroxy-3-(1-oxo-2,3-dihydroinden-4-yl)propanoate
CID 171864253
2,3-dihydroxy-3-(1-oxo-2,3-dihydroinden-4-yl)propanoic acid
CID 170824156
5-(1-sulfanylethyl)-3,4-dihydro-2H-naphthalen-1-one
CID 142366129
N-(4-amino-4-oxobutan-2-yl)-N-methyl-1-oxo-2,3-dihydroindene-4-carboxamide
CID 131940009
N,N-dimethyl-1-oxo-2,3-dihydroindene-4-carboxamide
CID 69203390
3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enamide
CID 169481923
N-[2,6-di(propan-2-yl)phenyl]-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
CID 41402308
4-bromo-2,3-dihydroinden-1-one;methanamine
CID 174616015
N-methyl-1-oxo-2,3-dihydroindene-4-carboxamide
CID 130014945
3,4-dihydroxy-4-(1-oxo-2,3-dihydroinden-4-yl)butanenitrile
CID 171901161
2-(2-methylphenyl)propanamide;dihydrochloride
CID 162317897
6-hydroxy-4-propan-2-yl-2,3-dihydroinden-1-one
CID 135165370

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-2,3-dihydroinden-4-yl)propanamide?
The IUPAC name of 2-(1-oxo-2,3-dihydroinden-4-yl)propanamide (CID 57115120) is 2-(1-oxo-2,3-dihydroinden-4-yl)propanamide.
What is the SMILES notation for 2-(1-oxo-2,3-dihydroinden-4-yl)propanamide?
The canonical SMILES for 2-(1-oxo-2,3-dihydroinden-4-yl)propanamide is CC(C(N)=O)c1cccc2c1CCC2=O.
What is the InChIKey of 2-(1-oxo-2,3-dihydroinden-4-yl)propanamide?
The InChIKey is QZGPIZHLSJIAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-7(12(13)15)8-3-2-4-10-9(8)5-6-11(10)14/h2-4,7H,5-6H2,1H3,(H2,13,15).
What are the key properties of 2-(1-oxo-2,3-dihydroinden-4-yl)propanamide?
2-(1-oxo-2,3-dihydroinden-4-yl)propanamide has a molecular weight of 203.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-2,3-dihydroinden-4-yl)propanamide is sourced from PubChem (CID 57115120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).