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

C10H6N2 — CID 12698510

IUPAC2-[(E)-2-cyanoethenyl]benzonitrile
SMILESN#C/C=C/c1ccccc1C#N
InChIInChI=1S/C10H6N2/c11-7-3-6-9-4-1-2-5-10(9)8-12/h1-6H/b6-3+
InChIKeyXICDCENQIKYMGT-ZZXKWVIFSA-N
MW154.17 g/mol
LogP2.10
Rot. Bonds1

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

2-[(E)-2-cyanoethenyl]benzonitrile (PubChem CID 12698510) has the molecular formula C10H6N2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-[(E)-2-cyanoethenyl]benzonitrile.

Molecular Properties

Compound Name2-[(E)-2-cyanoethenyl]benzonitrile
PubChem CID12698510
Molecular FormulaC10H6N2
Molecular Weight154.17 g/mol
Exact Mass154.05
IUPAC Name2-[(E)-2-cyanoethenyl]benzonitrile
SMILESN#C/C=C/c1ccccc1C#N
InChIInChI=1S/C10H6N2/c11-7-3-6-9-4-1-2-5-10(9)8-12/h1-6H/b6-3+
InChIKeyXICDCENQIKYMGT-ZZXKWVIFSA-N
XLogP2.10
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-phenylpenta-2,4-dienenitrile;2-prop-1-enylbenzonitrile
CID 158613192
2-[(E)-3-oxoprop-1-enyl]benzonitrile
CID 19823346
3-(2-iodophenyl)prop-2-enenitrile
CID 5013093
(Z)-3-(2-chlorophenyl)prop-2-enenitrile
CID 11205957
(E)-3-(2-fluorophenyl)prop-2-enenitrile
CID 11062531
2-[2-(dimethylamino)ethenyl]benzonitrile
CID 54125819
(E)-3-(2-chlorophenyl)prop-2-enenitrile;hydron
CID 174388548
2-(2-cyanoethenyl)-5-fluorobenzonitrile
CID 169483485
2-(2-methylsulfonylethenyl)benzonitrile
CID 71427434
(E)-3-(1-methyl-2-oxo-3-pyridinyl)prop-2-enenitrile
CID 168982596
2-(4-methylpent-1-enyl)benzonitrile
CID 174854494
2-[(Z)-2-bromo-2-phenylethenyl]benzonitrile
CID 10517136

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-cyanoethenyl]benzonitrile?
The IUPAC name of 2-[(E)-2-cyanoethenyl]benzonitrile (CID 12698510) is 2-[(E)-2-cyanoethenyl]benzonitrile.
What is the SMILES notation for 2-[(E)-2-cyanoethenyl]benzonitrile?
The canonical SMILES for 2-[(E)-2-cyanoethenyl]benzonitrile is N#C/C=C/c1ccccc1C#N.
What is the InChIKey of 2-[(E)-2-cyanoethenyl]benzonitrile?
The InChIKey is XICDCENQIKYMGT-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H6N2/c11-7-3-6-9-4-1-2-5-10(9)8-12/h1-6H/b6-3+.
What are the key properties of 2-[(E)-2-cyanoethenyl]benzonitrile?
2-[(E)-2-cyanoethenyl]benzonitrile has a molecular weight of 154.17 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-cyanoethenyl]benzonitrile is sourced from PubChem (CID 12698510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).