(2E)-1-phenyl-2-prop-2-enylidenecyclopropane-1-carbonitrile

C13H11N — CID 174042575

IUPAC(2E)-1-phenyl-2-prop-2-enylidenecyclopropane-1-carbonitrile
SMILESC=C/C=C1\CC1(C#N)c1ccccc1
InChIInChI=1S/C13H11N/c1-2-6-12-9-13(12,10-14)11-7-4-3-5-8-11/h2-8H,1,9H2/b12-6+
InChIKeyMIYRKNMTCBUIKX-WUXMJOGZSA-N
MW181.24 g/mol
LogP2.96
Rot. Bonds2

About (2E)-1-phenyl-2-prop-2-enylidenecyclopropane-1-carbonitrile

(2E)-1-phenyl-2-prop-2-enylidenecyclopropane-1-carbonitrile (PubChem CID 174042575) has the molecular formula C13H11N and a molecular weight of 181.24 g/mol. Its IUPAC name is (2E)-1-phenyl-2-prop-2-enylidenecyclopropane-1-carbonitrile.

Molecular Properties

Compound Name(2E)-1-phenyl-2-prop-2-enylidenecyclopropane-1-carbonitrile
PubChem CID174042575
Molecular FormulaC13H11N
Molecular Weight181.24 g/mol
Exact Mass181.09
IUPAC Name(2E)-1-phenyl-2-prop-2-enylidenecyclopropane-1-carbonitrile
SMILESC=C/C=C1\CC1(C#N)c1ccccc1
InChIInChI=1S/C13H11N/c1-2-6-12-9-13(12,10-14)11-7-4-3-5-8-11/h2-8H,1,9H2/b12-6+
InChIKeyMIYRKNMTCBUIKX-WUXMJOGZSA-N
XLogP2.96
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2E)-1-phenyl-2-prop-2-enylidenecyclopropane-1-carbonitrile 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

1-phenylcyclopent-3-ene-1-carbonitrile
CID 23374575
2,2-dimethyl-1-phenylcyclopropane-1-carbonitrile
CID 13227702
5-ethenyl-2-phenyl-2-(trifluoromethyl)oxolane-3,3-dicarbonitrile
CID 138968738
(1R,3S,5R,6R)-4-oxo-1,3,6-triphenylbicyclo[3.1.0]hexane-3-carbonitrile
CID 11824276
2-methyl-1-phenylcyclobutane-1-carbonitrile
CID 23294917
2-phenyl-2-prop-2-enylpent-4-enenitrile
CID 10442696
3-methyl-5,5-diphenyl-4H-pyrazole-3-carbonitrile
CID 101094034
1,8-diphenyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene-9,9,10,10-tetracarbonitrile
CID 15197828
2-(1-phenylethyl)-2-prop-2-enylpropanedinitrile
CID 24973753
CID 59487126
CID 59487126
cis-(2R,4S)-4-ethenyl-2-phenylcyclopentane-1,1,3,3-tetracarbonitrile
CID 135061972
1-(4-methoxyphenyl)-4-methylidene-5-oxo-2-phenylpyrrolidine-2-carbonitrile
CID 57328295

Frequently Asked Questions

What is the IUPAC name of (2E)-1-phenyl-2-prop-2-enylidenecyclopropane-1-carbonitrile?
The IUPAC name of (2E)-1-phenyl-2-prop-2-enylidenecyclopropane-1-carbonitrile (CID 174042575) is (2E)-1-phenyl-2-prop-2-enylidenecyclopropane-1-carbonitrile.
What is the SMILES notation for (2E)-1-phenyl-2-prop-2-enylidenecyclopropane-1-carbonitrile?
The canonical SMILES for (2E)-1-phenyl-2-prop-2-enylidenecyclopropane-1-carbonitrile is C=C/C=C1\CC1(C#N)c1ccccc1.
What is the InChIKey of (2E)-1-phenyl-2-prop-2-enylidenecyclopropane-1-carbonitrile?
The InChIKey is MIYRKNMTCBUIKX-WUXMJOGZSA-N. The full InChI is InChI=1S/C13H11N/c1-2-6-12-9-13(12,10-14)11-7-4-3-5-8-11/h2-8H,1,9H2/b12-6+.
What are the key properties of (2E)-1-phenyl-2-prop-2-enylidenecyclopropane-1-carbonitrile?
(2E)-1-phenyl-2-prop-2-enylidenecyclopropane-1-carbonitrile has a molecular weight of 181.24 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-phenyl-2-prop-2-enylidenecyclopropane-1-carbonitrile is sourced from PubChem (CID 174042575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).