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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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).