Molecule ID: 11355722

IUPAC Name: 1H-indole-3-carbonyl cyanide

Description: The molecule is a member of the class of indoles that is 1H-indole which is substituted by a nitriloacetyl group at the 3 position. It has a role as an Arabidopsis thaliana metabolite. It is an alpha-ketonitrile and a member of indoles.

SMILES: N#CC(=O)c1c[nH]c2ccccc12

SELFIES: [N][#C][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]

InChI: InChI=1S/C10H6N2O/c11-5-10(13)8-6-12-9-4-2-1-3-7(8)9/h1-4,6,12H

Molecular Properties:
- Polar Surface Area: 56.6 Ų
- LogP: 2.1