3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enamide

C12H11NO2 — CID 169481923

IUPAC3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enamide
SMILESNC(=O)C=Cc1cccc2c1CCC2=O
InChIInChI=1S/C12H11NO2/c13-12(15)7-4-8-2-1-3-10-9(8)5-6-11(10)14/h1-4,7H,5-6H2,(H2,13,15)
InChIKeyDJCKYVNAQVRUMD-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.31
Rot. Bonds2

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

3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enamide (PubChem CID 169481923) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enamide
PubChem CID169481923
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enamide
SMILESNC(=O)C=Cc1cccc2c1CCC2=O
InChIInChI=1S/C12H11NO2/c13-12(15)7-4-8-2-1-3-10-9(8)5-6-11(10)14/h1-4,7H,5-6H2,(H2,13,15)
InChIKeyDJCKYVNAQVRUMD-UHFFFAOYSA-N
XLogP1.31
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enyl]acetamide
CID 169465620
4-(1-oxo-2,3-dihydroinden-4-yl)but-3-enenitrile
CID 170799851
(E)-3-[2-(3-acetylphenyl)phenyl]prop-2-enamide
CID 170877618
2-(1-oxo-2,3-dihydroinden-4-yl)propanamide
CID 57115120
(E)-3-[2-(4-fluorophenyl)phenyl]prop-2-enamide
CID 170876792
N,N-dimethyl-1-oxo-2,3-dihydroindene-4-carboxamide
CID 69203390
4-bromo-2,3-dihydroinden-1-one;methanamine
CID 174616015
N-methyl-1-oxo-2,3-dihydroindene-4-carboxamide
CID 130014945
3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enamide
CID 169482398
(Z)-3-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)prop-2-enamide
CID 170876951
(E)-3-[2-[2-(2-amino-1-hydroxy-2-oxoethyl)phenyl]phenyl]prop-2-enamide
CID 141390620
3-anthracen-1-ylprop-2-enamide
CID 118453469

Frequently Asked Questions

What is the IUPAC name of 3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enamide?
The IUPAC name of 3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enamide (CID 169481923) is 3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enamide.
What is the SMILES notation for 3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enamide?
The canonical SMILES for 3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enamide is NC(=O)C=Cc1cccc2c1CCC2=O.
What is the InChIKey of 3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enamide?
The InChIKey is DJCKYVNAQVRUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c13-12(15)7-4-8-2-1-3-10-9(8)5-6-11(10)14/h1-4,7H,5-6H2,(H2,13,15).
What are the key properties of 3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enamide?
3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enamide has a molecular weight of 201.23 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enamide is sourced from PubChem (CID 169481923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).