1.0 2010-04-08 22:09:58 UTC 2025-11-18 23:33:26 UTC FDB012054 3-Phenyl-2-propenenitrile 3-phenyl-2-propenenitrile is a member of the class of compounds known as styrenes. Styrenes are organic compounds containing an ethenylbenzene moiety. 3-phenyl-2-propenenitrile is a cassia, cinnamon, and cumin tasting compound found in fig, which makes 3-phenyl-2-propenenitrile a potential biomarker for the consumption of this food product. (2E)-3-Phenyl-2-propenenitrile (E)-3-Phenylacrylonitrile (E)-3-Phenylprop-2-enenitrile (E)-3-Phenylpropenenitrile (e)-cinnamonitrile (E)3-Phenylacrylonitrile 1-cyano-2-phenylethene 1-Cyano-2-phenylethylene 2-Propenenitrile, 3-phenyl- 2-Propenenitrile, 3-phenyl-, (2E)- 2-Propenenitrile, 3-phenyl-, (E)- 3-Phenyl-2-propenenitrile, 9CI 3-Phenylacrylonitrile Acrylonitrile, 3-phenyl- Beta-cyanostyrene Beta-phenylacrylonitrile Cinnamalra Cinnamonitrile Cinnamonitrile c&t Cinnamonitrile, (e)- Cinnamyl nitrile Styryl cyanide Trans-β-phenylacrylonitrile trans-3-Phenyl-2-propenenitrile trans-3-Phenylpropenonitrile Trans-beta-phenylacrylonitrile Trans-cinnamonitrile C9H7N 129.1586 129.057849229 (2Z)-3-phenylprop-2-enenitrile (2Z)-3-phenylprop-2-enenitrile 1885-38-7 N#C\C=C/C1=CC=CC=C1 InChI=1S/C9H7N/c10-8-4-7-9-5-2-1-3-6-9/h1-7H/b7-4- ZWKNLRXFUTWSOY-DAXSKMNVSA-N belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety. Styrenes Organic compounds Benzenoids Benzene and substituted derivatives Styrenes Aromatic homomonocyclic compounds Hydrocarbon derivatives Nitriles Organopnictogen compounds Aromatic homomonocyclic compound Carbonitrile Hydrocarbon derivative Nitrile Organic nitrogen compound Organonitrogen compound Organopnictogen compound Styrene liquid logp 2.01 ALOGPS logs -2.78 ALOGPS solubility 2.15e-01 g/l ALOGPS melting_point Mp 20-21° logp 2.36 ChemAxon iupac (2Z)-3-phenylprop-2-enenitrile ChemAxon average_mass 129.1586 ChemAxon mono_mass 129.057849229 ChemAxon smiles N#C\C=C/C1=CC=CC=C1 ChemAxon formula C9H7N ChemAxon inchi InChI=1S/C9H7N/c10-8-4-7-9-5-2-1-3-6-9/h1-7H/b7-4- ChemAxon inchikey ZWKNLRXFUTWSOY-DAXSKMNVSA-N ChemAxon polar_surface_area 23.79 ChemAxon refractivity 42.04 ChemAxon polarizability 13.96 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1252837 Specdb::MsMs 1252838 Specdb::MsMs 1252839 Specdb::MsMs 1368079 Specdb::MsMs 1368080 Specdb::MsMs 1368081 Specdb::MsMs 3605302 Specdb::MsMs 3605303 Specdb::MsMs 3605304 Specdb::MsMs 3605305 Specdb::MsMs 3605306 Specdb::MsMs 3605307 Fig Type 1 specific Ficus carica 3494 cassia cinnamon cumin deep nitrile