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CHEBI:142078 - (2,2,3-trimethylcyclopent-3-en-1-yl)acetonitrile

ChEBI IDCHEBI:142078
ChEBI Name(2,2,3-trimethylcyclopent-3-en-1-yl)acetonitrile
Stars
DefinitionA nitrile that is acetonitrile in which one of the hydrogens has been replaced by a 2,2,3-trimethylcyclopent-3-en-1-yl group.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.
Last Modified3 September 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC10H15N
Net Charge0
Average Mass149.237
Monoisotopic Mass149.12045
SMILESCC1=CCC(CC#N)C1(C)C
InChIInChI=1S/C10H15N/c1-8-4-5-9(6-7-11)10(8,2)3/h4,9H,5-6H2,1-3H3
InChIKeyYYJOTFQPYNOYAB-UHFFFAOYSA-N
Roles Classification
Application:
fragrance  A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
ChEBI Ontology
Outgoing Relation(s)
(2,2,3-trimethylcyclopent-3-en-1-yl)acetonitrile (CHEBI:142078) has parent hydride cyclopentene (CHEBI:49155)
(2,2,3-trimethylcyclopent-3-en-1-yl)acetonitrile (CHEBI:142078) has role fragrance (CHEBI:48318)
(2,2,3-trimethylcyclopent-3-en-1-yl)acetonitrile (CHEBI:142078) is a nitrile (CHEBI:18379)
(2,2,3-trimethylcyclopent-3-en-1-yl)acetonitrile (CHEBI:142078) is a volatile organic compound (CHEBI:134179)
IUPAC Name 
(2,2,3-trimethylcyclopent-3-en-1-yl)acetonitrile
Synonyms  Source
2-(2,2,3-trimethylcyclopent-3-enyl)ethanenitrileChEBI
4-cyanomethyl-5,5-dimethyl-1-methylcyclopent-1-eneChEBI
Brand Name  Source
CantrylChEBI
Registry NumbersSources
Reaxys:2042104Reaxys
CAS:15373-31-6ChemIDplus
Citations