2-[(E)-2-(4-cyanophenyl)ethenyl]benzonitrile

C16H10N2 — CID 71628819

IUPAC2-[(E)-2-(4-cyanophenyl)ethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C/c2ccccc2C#N)cc1
InChIInChI=1S/C16H10N2/c17-11-14-7-5-13(6-8-14)9-10-15-3-1-2-4-16(15)12-18/h1-10H/b10-9+
InChIKeyFVENBNYAMBDRRJ-MDZDMXLPSA-N
MW230.27 g/mol
LogP3.60
Rot. Bonds2

About 2-[(E)-2-(4-cyanophenyl)ethenyl]benzonitrile

2-[(E)-2-(4-cyanophenyl)ethenyl]benzonitrile (PubChem CID 71628819) has the molecular formula C16H10N2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-[(E)-2-(4-cyanophenyl)ethenyl]benzonitrile.

Molecular Properties

Compound Name2-[(E)-2-(4-cyanophenyl)ethenyl]benzonitrile
PubChem CID71628819
Molecular FormulaC16H10N2
Molecular Weight230.27 g/mol
Exact Mass230.08
IUPAC Name2-[(E)-2-(4-cyanophenyl)ethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C/c2ccccc2C#N)cc1
InChIInChI=1S/C16H10N2/c17-11-14-7-5-13(6-8-14)9-10-15-3-1-2-4-16(15)12-18/h1-10H/b10-9+
InChIKeyFVENBNYAMBDRRJ-MDZDMXLPSA-N
XLogP3.60
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-cyanophenyl)ethenyl]benzonitrile?
The IUPAC name of 2-[(E)-2-(4-cyanophenyl)ethenyl]benzonitrile (CID 71628819) is 2-[(E)-2-(4-cyanophenyl)ethenyl]benzonitrile.
What is the SMILES notation for 2-[(E)-2-(4-cyanophenyl)ethenyl]benzonitrile?
The canonical SMILES for 2-[(E)-2-(4-cyanophenyl)ethenyl]benzonitrile is N#Cc1ccc(/C=C/c2ccccc2C#N)cc1.
What is the InChIKey of 2-[(E)-2-(4-cyanophenyl)ethenyl]benzonitrile?
The InChIKey is FVENBNYAMBDRRJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H10N2/c17-11-14-7-5-13(6-8-14)9-10-15-3-1-2-4-16(15)12-18/h1-10H/b10-9+.
What are the key properties of 2-[(E)-2-(4-cyanophenyl)ethenyl]benzonitrile?
2-[(E)-2-(4-cyanophenyl)ethenyl]benzonitrile has a molecular weight of 230.27 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-cyanophenyl)ethenyl]benzonitrile is sourced from PubChem (CID 71628819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).