4-[(Z)-1-cyano-2-[4-(dimethylamino)phenyl]ethenyl]benzonitrile

C18H15N3 — CID 935173

IUPAC4-[(Z)-1-cyano-2-[4-(dimethylamino)phenyl]ethenyl]benzonitrile
SMILESCN(C)c1ccc(/C=C(\C#N)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H15N3/c1-21(2)18-9-5-14(6-10-18)11-17(13-20)16-7-3-15(12-19)4-8-16/h3-11H,1-2H3/b17-11+
InChIKeyLPBOIBXLODEIAU-GZTJUZNOSA-N
MW273.34 g/mol
LogP3.69
Rot. Bonds3

About 4-[(Z)-1-cyano-2-[4-(dimethylamino)phenyl]ethenyl]benzonitrile

4-[(Z)-1-cyano-2-[4-(dimethylamino)phenyl]ethenyl]benzonitrile (PubChem CID 935173) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[(Z)-1-cyano-2-[4-(dimethylamino)phenyl]ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(Z)-1-cyano-2-[4-(dimethylamino)phenyl]ethenyl]benzonitrile
PubChem CID935173
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name4-[(Z)-1-cyano-2-[4-(dimethylamino)phenyl]ethenyl]benzonitrile
SMILESCN(C)c1ccc(/C=C(\C#N)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H15N3/c1-21(2)18-9-5-14(6-10-18)11-17(13-20)16-7-3-15(12-19)4-8-16/h3-11H,1-2H3/b17-11+
InChIKeyLPBOIBXLODEIAU-GZTJUZNOSA-N
XLogP3.69
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-2-[3-bromo-4-(dimethylamino)phenyl]-1-cyanoethenyl]benzonitrile
CID 1303580
3-[4-(dimethylamino)phenyl]-2-naphthalen-2-ylprop-2-enenitrile
CID 3991442
4-[(Z)-1-cyano-2-(4-ethoxyphenyl)ethenyl]benzonitrile
CID 2232217
2-[4-[1-cyano-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]prop-2-enenitrile
CID 154730336
(E)-3-[4-(dimethylamino)phenyl]-2-(3-fluorophenyl)prop-2-enenitrile
CID 1250195
4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]benzonitrile
CID 10401953
4-[(E)-1-cyano-2-(3,5-dibromo-4-methylphenyl)ethenyl]benzonitrile
CID 126373068
2-[4-(dimethylamino)phenyl]-4-oxobut-2-enenitrile
CID 173446807
4-[(1E,4E)-5-[4-(dimethylamino)phenyl]-3-oxopenta-1,4-dienyl]benzonitrile
CID 20513546
(Z)-3-[4-(diethylamino)phenyl]-2-(4-methylphenyl)prop-2-enenitrile
CID 91740452
(Z)-3-[4-(dimethylamino)phenyl]-2-(2-fluorophenyl)prop-2-enenitrile
CID 853953
4-[(Z)-2-[4-(4-bromobutoxy)phenyl]-1-cyanoethenyl]benzonitrile
CID 172915022

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-cyano-2-[4-(dimethylamino)phenyl]ethenyl]benzonitrile?
The IUPAC name of 4-[(Z)-1-cyano-2-[4-(dimethylamino)phenyl]ethenyl]benzonitrile (CID 935173) is 4-[(Z)-1-cyano-2-[4-(dimethylamino)phenyl]ethenyl]benzonitrile.
What is the SMILES notation for 4-[(Z)-1-cyano-2-[4-(dimethylamino)phenyl]ethenyl]benzonitrile?
The canonical SMILES for 4-[(Z)-1-cyano-2-[4-(dimethylamino)phenyl]ethenyl]benzonitrile is CN(C)c1ccc(/C=C(\C#N)c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[(Z)-1-cyano-2-[4-(dimethylamino)phenyl]ethenyl]benzonitrile?
The InChIKey is LPBOIBXLODEIAU-GZTJUZNOSA-N. The full InChI is InChI=1S/C18H15N3/c1-21(2)18-9-5-14(6-10-18)11-17(13-20)16-7-3-15(12-19)4-8-16/h3-11H,1-2H3/b17-11+.
What are the key properties of 4-[(Z)-1-cyano-2-[4-(dimethylamino)phenyl]ethenyl]benzonitrile?
4-[(Z)-1-cyano-2-[4-(dimethylamino)phenyl]ethenyl]benzonitrile has a molecular weight of 273.34 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-cyano-2-[4-(dimethylamino)phenyl]ethenyl]benzonitrile is sourced from PubChem (CID 935173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).