4-[(E)-2-phenylethenyl]benzonitrile

C15H11N — CID 5375774

IUPAC4-[(E)-2-phenylethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C15H11N/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-11H/b7-6+
InChIKeyWQUHPLQCUQJSQW-VOTSOKGWSA-N
MW205.26 g/mol
LogP3.73
Rot. Bonds2

About 4-[(E)-2-phenylethenyl]benzonitrile

4-[(E)-2-phenylethenyl]benzonitrile (PubChem CID 5375774) has the molecular formula C15H11N and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-[(E)-2-phenylethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-2-phenylethenyl]benzonitrile
PubChem CID5375774
Molecular FormulaC15H11N
Molecular Weight205.26 g/mol
Exact Mass205.09
IUPAC Name4-[(E)-2-phenylethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C15H11N/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-11H/b7-6+
InChIKeyWQUHPLQCUQJSQW-VOTSOKGWSA-N
XLogP3.73
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-phenylethenyl]benzonitrile?
The IUPAC name of 4-[(E)-2-phenylethenyl]benzonitrile (CID 5375774) is 4-[(E)-2-phenylethenyl]benzonitrile.
What is the SMILES notation for 4-[(E)-2-phenylethenyl]benzonitrile?
The canonical SMILES for 4-[(E)-2-phenylethenyl]benzonitrile is N#Cc1ccc(/C=C/c2ccccc2)cc1.
What is the InChIKey of 4-[(E)-2-phenylethenyl]benzonitrile?
The InChIKey is WQUHPLQCUQJSQW-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H11N/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-11H/b7-6+.
What are the key properties of 4-[(E)-2-phenylethenyl]benzonitrile?
4-[(E)-2-phenylethenyl]benzonitrile has a molecular weight of 205.26 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-phenylethenyl]benzonitrile is sourced from PubChem (CID 5375774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).