Molecule ID: 85833

IUPAC Name: 2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetonitrile

Description: The molecule is a nitrile that is acetonitrile in which one of the hydrogens has been replaced by a 2,2,3-trimethylcyclopent-3-en-1-yl group. A powerful fragrance compound with pine, rosemary and hay-like tonalities. It has a role as a fragrance. It is a nitrile and a volatile organic compound. It derives from a hydride of a cyclopentene.

SMILES: CC1=CCC(CC#N)C1(C)C

SELFIES: [C][C][=C][C][C][Branch1][Ring2][C][C][#N][C][Ring1][Branch2][Branch1][C][C][C]

InChI: InChI=1S/C10H15N/c1-8-4-5-9(6-7-11)10(8,2)3/h4,9H,5-6H2,1-3H3

Molecular Properties:
- Polar Surface Area: 23.8 Ų
- LogP: 2.1