2-(2-cyanophenyl)-3-prop-2-enylbenzonitrile

C17H12N2 — CID 66879284

IUPAC2-(2-cyanophenyl)-3-prop-2-enylbenzonitrile
SMILESC=CCc1cccc(C#N)c1-c1ccccc1C#N
InChIInChI=1S/C17H12N2/c1-2-6-13-8-5-9-15(12-19)17(13)16-10-4-3-7-14(16)11-18/h2-5,7-10H,1,6H2
InChIKeyJSIBIUJTWDFTLL-UHFFFAOYSA-N
MW244.30 g/mol
LogP3.83
Rot. Bonds3

About 2-(2-cyanophenyl)-3-prop-2-enylbenzonitrile

2-(2-cyanophenyl)-3-prop-2-enylbenzonitrile (PubChem CID 66879284) has the molecular formula C17H12N2 and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-(2-cyanophenyl)-3-prop-2-enylbenzonitrile.

Molecular Properties

Compound Name2-(2-cyanophenyl)-3-prop-2-enylbenzonitrile
PubChem CID66879284
Molecular FormulaC17H12N2
Molecular Weight244.30 g/mol
Exact Mass244.10
IUPAC Name2-(2-cyanophenyl)-3-prop-2-enylbenzonitrile
SMILESC=CCc1cccc(C#N)c1-c1ccccc1C#N
InChIInChI=1S/C17H12N2/c1-2-6-13-8-5-9-15(12-19)17(13)16-10-4-3-7-14(16)11-18/h2-5,7-10H,1,6H2
InChIKeyJSIBIUJTWDFTLL-UHFFFAOYSA-N
XLogP3.83
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-cyanophenyl)-3-prop-2-enylbenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2,6-bis(prop-2-enyl)phenyl]-1,3-bis(prop-2-enyl)benzene
CID 173186666
2,6-bis(prop-2-enyl)benzonitrile
CID 67300787
anthracene-9,10-dione;1-prop-2-enylanthracene-9,10-dione
CID 174357555
benzene-1,2-dicarbonitrile;prop-2-enenitrile
CID 175057961
1-prop-2-enylfluoranthene
CID 173108316
2-(2-prop-2-enylphenoxy)propanenitrile
CID 13355012
3-hydroxy-2-[2-hydroxy-6-(2-hydroxyphenyl)phenyl]benzonitrile
CID 141134076
1-methyl-2,3-bis(2-prop-2-enylphenyl)benzene
CID 173365962
2-(2-methyl-6-pentylphenyl)benzonitrile
CID 101053248
2-[(2-cyanophenyl)methyl]benzonitrile
CID 19390291
2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile
CID 123672442
4-prop-2-enylfuran-3-carbonitrile
CID 175739682

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenyl)-3-prop-2-enylbenzonitrile?
The IUPAC name of 2-(2-cyanophenyl)-3-prop-2-enylbenzonitrile (CID 66879284) is 2-(2-cyanophenyl)-3-prop-2-enylbenzonitrile.
What is the SMILES notation for 2-(2-cyanophenyl)-3-prop-2-enylbenzonitrile?
The canonical SMILES for 2-(2-cyanophenyl)-3-prop-2-enylbenzonitrile is C=CCc1cccc(C#N)c1-c1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenyl)-3-prop-2-enylbenzonitrile?
The InChIKey is JSIBIUJTWDFTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2/c1-2-6-13-8-5-9-15(12-19)17(13)16-10-4-3-7-14(16)11-18/h2-5,7-10H,1,6H2.
What are the key properties of 2-(2-cyanophenyl)-3-prop-2-enylbenzonitrile?
2-(2-cyanophenyl)-3-prop-2-enylbenzonitrile has a molecular weight of 244.30 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenyl)-3-prop-2-enylbenzonitrile is sourced from PubChem (CID 66879284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).