Molecule ID: 351795

IUPAC Name: 2-(1H-indol-3-yl)acetonitrile

Description: The molecule is a nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a 1H-indol-3-yl group. It has a role as an auxin, a plant hormone, a plant metabolite and a human xenobiotic metabolite. It is a nitrile and a member of indoles. It derives from an acetonitrile.

SMILES: N#CCc1c[nH]c2ccccc12

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

InChI: InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2

Molecular Properties:
- Polar Surface Area: 39.6 Ų
- LogP: 1.6