Molecule ID: 536905

IUPAC Name: 2-methyl-3-oxobutanenitrile

Description: The molecule is a methyl ketone that is butan-2-one substituted by a cyano group at position 3. It has a role as a metabolite. It is a methyl ketone and a nitrile. It derives from a butan-2-one.

SMILES: CC(=O)C(C)C#N

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

InChI: InChI=1S/C5H7NO/c1-4(3-6)5(2)7/h4H,1-2H3

Molecular Properties:
- Polar Surface Area: 40.9 Ų
- LogP: 0.4