Molecule ID: 124081729

IUPAC Name: 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-[(Z)-2-isocyanoethenyl]indole

Description: The molecule is a member of the class of indoles in which the hydrogens at position 3 of 3H-indole have been replaced by 2-isocyanovinyl and geranyl groups. It is an indole, an isocyanide and an olefinic compound. It derives from a 3H-indole.

SMILES: [C-]#[N+]/C=C\C1(C/C=C(\C)CCC=C(C)C)C=Nc2ccccc21

SELFIES: [C-1][#N+1][/C][=C][\C][Branch1][#C][C][/C][=C][Branch1][C][\C][C][C][C][=C][Branch1][C][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1]

InChI: InChI=1S/C21H24N2/c1-17(2)8-7-9-18(3)12-13-21(14-15-22-4)16-23-20-11-6-5-10-19(20)21/h5-6,8,10-12,14-16H,7,9,13H2,1-3H3/b15-14-,18-12+

Molecular Properties:
- Polar Surface Area: 16.7 Ų
- LogP: 4.9