Molecule ID: 21862984

IUPAC Name: 3-acetylazepan-2-one

Description: The molecule is a member of the class of caprolactams that is epsilon-caprolactam which carries an acetyl group at position 3. It derives from an epsilon-caprolactam.

SMILES: CC(=O)C1CCCCN=C1O

SELFIES: [C][C][=Branch1][C][=O][C][C][C][C][C][N][=C][Ring1][#Branch1][O]

InChI: InChI=1S/C8H13NO2/c1-6(10)7-4-2-3-5-9-8(7)11/h7H,2-5H2,1H3,(H,9,11)

Molecular Properties:
- Polar Surface Area: 46.2 Ų
- LogP: 0.3