2-Propenenitrile, 3-(4-ethenylphenyl)-

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Basic information

CAS: 81232-18-0
Standard SMILES: C=Cc1ccc(C=CC#N)cc1
InChIKey: FNWLIFTZDCZCIR-UHFFFAOYSA-N
Molecular formula: C11H9N
Average molar mass: 155.2 g/mol
Monoisotopic mass: 155.07349929

Names & identifiers

Preferred name: 2-Propenenitrile, 3-(4-ethenylphenyl)-
IUPAC: 3-(4-ethenylphenyl)prop-2-enenitrile

Names & synonyms

4-vinylcinnamonitrile2-Propenenitrile, 3-(4-ethenylphenyl)-SCHEMBL10977770FNWLIFTZDCZCIR-UHFFFAOYSA-NDTXSID2012920563-(4-Ethenylphenyl)-2-propenenitrile3-(4-ethenylphenyl)prop-2-enenitrile

Database identifiers

CAS: 81232-18-0
PubChem CID: 3018993
DTXSID: DTXSID201292056

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 23.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 210

Related reactions

2 records

New reaction record

HRID 484648As productuspto-grants-1985_08

HRID 816187As productTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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