Molecule ID: 637920

IUPAC Name: (E)-pent-3-en-2-one

Description: The molecule is a methyl propenyl ketone in which the double bond has (E)-configuration. It is a key odorant responsible for the chestnut-like aroma in green tea. It has a role as a flavouring agent and a plant metabolite. It is a methyl propenyl ketone and a volatile organic compound.

SMILES: C/C=C/C(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/b4-3+

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