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

C16H13N — CID 19873770

IUPAC2-[(E)-2-(4-methylphenyl)ethenyl]benzonitrile
SMILESCc1ccc(/C=C/c2ccccc2C#N)cc1
InChIInChI=1S/C16H13N/c1-13-6-8-14(9-7-13)10-11-15-4-2-3-5-16(15)12-17/h2-11H,1H3/b11-10+
InChIKeyDMCXUGQFRSJQMH-ZHACJKMWSA-N
MW219.29 g/mol
LogP4.04
Rot. Bonds2

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

2-[(E)-2-(4-methylphenyl)ethenyl]benzonitrile (PubChem CID 19873770) has the molecular formula C16H13N and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-[(E)-2-(4-methylphenyl)ethenyl]benzonitrile.

Molecular Properties

Compound Name2-[(E)-2-(4-methylphenyl)ethenyl]benzonitrile
PubChem CID19873770
Molecular FormulaC16H13N
Molecular Weight219.29 g/mol
Exact Mass219.10
IUPAC Name2-[(E)-2-(4-methylphenyl)ethenyl]benzonitrile
SMILESCc1ccc(/C=C/c2ccccc2C#N)cc1
InChIInChI=1S/C16H13N/c1-13-6-8-14(9-7-13)10-11-15-4-2-3-5-16(15)12-17/h2-11H,1H3/b11-10+
InChIKeyDMCXUGQFRSJQMH-ZHACJKMWSA-N
XLogP4.04
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 54.04
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-(4-methylphenyl)ethenyl]benzonitrile?
The IUPAC name of 2-[(E)-2-(4-methylphenyl)ethenyl]benzonitrile (CID 19873770) is 2-[(E)-2-(4-methylphenyl)ethenyl]benzonitrile.
What is the SMILES notation for 2-[(E)-2-(4-methylphenyl)ethenyl]benzonitrile?
The canonical SMILES for 2-[(E)-2-(4-methylphenyl)ethenyl]benzonitrile is Cc1ccc(/C=C/c2ccccc2C#N)cc1.
What is the InChIKey of 2-[(E)-2-(4-methylphenyl)ethenyl]benzonitrile?
The InChIKey is DMCXUGQFRSJQMH-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H13N/c1-13-6-8-14(9-7-13)10-11-15-4-2-3-5-16(15)12-17/h2-11H,1H3/b11-10+.
What are the key properties of 2-[(E)-2-(4-methylphenyl)ethenyl]benzonitrile?
2-[(E)-2-(4-methylphenyl)ethenyl]benzonitrile has a molecular weight of 219.29 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-methylphenyl)ethenyl]benzonitrile is sourced from PubChem (CID 19873770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).