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

C15H11N — CID 15505694

IUPAC2-[(E)-2-phenylethenyl]benzonitrile
SMILESN#Cc1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C15H11N/c16-12-15-9-5-4-8-14(15)11-10-13-6-2-1-3-7-13/h1-11H/b11-10+
InChIKeyUSLPZCOPYRKTGY-ZHACJKMWSA-N
MW205.26 g/mol
LogP3.73
Rot. Bonds2

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

2-[(E)-2-phenylethenyl]benzonitrile (PubChem CID 15505694) has the molecular formula C15H11N and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]benzonitrile.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]benzonitrile
PubChem CID15505694
Molecular FormulaC15H11N
Molecular Weight205.26 g/mol
Exact Mass205.09
IUPAC Name2-[(E)-2-phenylethenyl]benzonitrile
SMILESN#Cc1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C15H11N/c16-12-15-9-5-4-8-14(15)11-10-13-6-2-1-3-7-13/h1-11H/b11-10+
InChIKeyUSLPZCOPYRKTGY-ZHACJKMWSA-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 2-[(E)-2-phenylethenyl]benzonitrile?
The IUPAC name of 2-[(E)-2-phenylethenyl]benzonitrile (CID 15505694) is 2-[(E)-2-phenylethenyl]benzonitrile.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]benzonitrile?
The canonical SMILES for 2-[(E)-2-phenylethenyl]benzonitrile is N#Cc1ccccc1/C=C/c1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]benzonitrile?
The InChIKey is USLPZCOPYRKTGY-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H11N/c16-12-15-9-5-4-8-14(15)11-10-13-6-2-1-3-7-13/h1-11H/b11-10+.
What are the key properties of 2-[(E)-2-phenylethenyl]benzonitrile?
2-[(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 2-[(E)-2-phenylethenyl]benzonitrile is sourced from PubChem (CID 15505694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).