(Z)-3-Phenylacrylonitrile
PubChem CID: 1711919
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| Compound Synonyms | (Z)-3-Phenylacrylonitrile, 24840-05-9, 4360-47-8, 3-cis-phenyl-acrylonitrile, (Z)-3-phenyl-acrylonitrile, (2Z)-3-Phenylacrylonitrile, SCHEMBL996307, ZWKNLRXFUTWSOY-DAXSKMNVSA-N, DTXSID601037159, EAA36047 |
|---|---|
| Topological Polar Surface Area | 23.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Description | 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. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 155.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-3-phenylprop-2-enenitrile |
| Nih Violation | False |
| Class | Benzene and substituted derivatives |
| Xlogp | 2.0 |
| Superclass | Benzenoids |
| Is Pains | False |
| Subclass | Styrenes |
| Molecular Formula | C9H7N |
| Inchi Key | ZWKNLRXFUTWSOY-DAXSKMNVSA-N |
| Rotatable Bond Count | 1.0 |
| State | liquid |
| Synonyms | (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-&beta, -phenylacrylonitrile, trans-3-Phenyl-2-propenenitrile, trans-3-Phenylpropenonitrile, Trans-beta-phenylacrylonitrile, Trans-cinnamonitrile |
| Compound Name | (Z)-3-Phenylacrylonitrile |
| Kingdom | Organic compounds |
| Exact Mass | 129.058 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 129.058 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 129.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Inchi | InChI=1S/C9H7N/c10-8-4-7-9-5-2-1-3-6-9/h1-7H/b7-4- |
| Smiles | C1=CC=C(C=C1)/C=C\C#N |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Styrenes |
- 1. Outgoing r'ship
FOUND_INto/from Ficus Carica (Plant) Rel Props:Source_db:fooddb_chem_all