Molecule ID: 101306927

IUPAC Name: 3-[(Z)-2-isocyanoethenyl]-1H-indole

Description: The molecule is a 3-(2-isocyanovinyl)indole in which the double bond of the isocyanovinyl group has Z (cis-) configuration. An antibacterial agent isolated from a species of Pseudomonas. It has a role as an antibacterial agent and a bacterial metabolite.

SMILES: [C-]#[N+]/C=C\c1c[nH]c2ccccc12

SELFIES: [C-1][#N+1][/C][=C][\C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]

InChI: InChI=1S/C11H8N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-8,13H/b7-6-

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 2.4