(Z)-3-[3-(dimethylamino)phenyl]-2-phenylprop-2-enenitrile

C17H16N2 — CID 5351425

IUPAC(Z)-3-[3-(dimethylamino)phenyl]-2-phenylprop-2-enenitrile
SMILESCN(C)c1cccc(/C=C(\C#N)c2ccccc2)c1
InChIInChI=1S/C17H16N2/c1-19(2)17-10-6-7-14(12-17)11-16(13-18)15-8-4-3-5-9-15/h3-12H,1-2H3/b16-11+
InChIKeyJDZSJXYNKBVSLD-LFIBNONCSA-N
MW248.33 g/mol
LogP3.82
Rot. Bonds3

About (Z)-3-[3-(dimethylamino)phenyl]-2-phenylprop-2-enenitrile

(Z)-3-[3-(dimethylamino)phenyl]-2-phenylprop-2-enenitrile (PubChem CID 5351425) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (Z)-3-[3-(dimethylamino)phenyl]-2-phenylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-[3-(dimethylamino)phenyl]-2-phenylprop-2-enenitrile
PubChem CID5351425
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name(Z)-3-[3-(dimethylamino)phenyl]-2-phenylprop-2-enenitrile
SMILESCN(C)c1cccc(/C=C(\C#N)c2ccccc2)c1
InChIInChI=1S/C17H16N2/c1-19(2)17-10-6-7-14(12-17)11-16(13-18)15-8-4-3-5-9-15/h3-12H,1-2H3/b16-11+
InChIKeyJDZSJXYNKBVSLD-LFIBNONCSA-N
XLogP3.82
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-3-[3-(dimethylamino)phenyl]-2-phenylprop-2-enenitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[3-(dimethylamino)phenyl]-2-phenylprop-2-enenitrile?
The IUPAC name of (Z)-3-[3-(dimethylamino)phenyl]-2-phenylprop-2-enenitrile (CID 5351425) is (Z)-3-[3-(dimethylamino)phenyl]-2-phenylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-[3-(dimethylamino)phenyl]-2-phenylprop-2-enenitrile?
The canonical SMILES for (Z)-3-[3-(dimethylamino)phenyl]-2-phenylprop-2-enenitrile is CN(C)c1cccc(/C=C(\C#N)c2ccccc2)c1.
What is the InChIKey of (Z)-3-[3-(dimethylamino)phenyl]-2-phenylprop-2-enenitrile?
The InChIKey is JDZSJXYNKBVSLD-LFIBNONCSA-N. The full InChI is InChI=1S/C17H16N2/c1-19(2)17-10-6-7-14(12-17)11-16(13-18)15-8-4-3-5-9-15/h3-12H,1-2H3/b16-11+.
What are the key properties of (Z)-3-[3-(dimethylamino)phenyl]-2-phenylprop-2-enenitrile?
(Z)-3-[3-(dimethylamino)phenyl]-2-phenylprop-2-enenitrile has a molecular weight of 248.33 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[3-(dimethylamino)phenyl]-2-phenylprop-2-enenitrile is sourced from PubChem (CID 5351425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).