Molecule ID: 12248

IUPAC Name: pent-3-en-2-one

Description: The molecule is an enone that is pent-2-ene in which the two methylene hydrogens have been replaced by an oxo group. It has a role as an EC 1.14.13.39 (nitric oxide synthase) inhibitor, a human urinary metabolite, a biomarker, a plant metabolite and a mouse metabolite.

SMILES: CC=CC(C)=O

SELFIES: [C][C][=C][C][Branch1][C][C][=O]

InChI: InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 0.5