4-[(E)-1-(dimethylamino)prop-1-enyl]benzonitrile

C12H14N2 — CID 134569639

IUPAC4-[(E)-1-(dimethylamino)prop-1-enyl]benzonitrile
SMILESC/C=C(\c1ccc(C#N)cc1)N(C)C
InChIInChI=1S/C12H14N2/c1-4-12(14(2)3)11-7-5-10(9-13)6-8-11/h4-8H,1-3H3/b12-4+
InChIKeyVDFKWNVGJIQNPB-UUILKARUSA-N
MW186.26 g/mol
LogP2.48
Rot. Bonds2

About 4-[(E)-1-(dimethylamino)prop-1-enyl]benzonitrile

4-[(E)-1-(dimethylamino)prop-1-enyl]benzonitrile (PubChem CID 134569639) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 4-[(E)-1-(dimethylamino)prop-1-enyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-1-(dimethylamino)prop-1-enyl]benzonitrile
PubChem CID134569639
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name4-[(E)-1-(dimethylamino)prop-1-enyl]benzonitrile
SMILESC/C=C(\c1ccc(C#N)cc1)N(C)C
InChIInChI=1S/C12H14N2/c1-4-12(14(2)3)11-7-5-10(9-13)6-8-11/h4-8H,1-3H3/b12-4+
InChIKeyVDFKWNVGJIQNPB-UUILKARUSA-N
XLogP2.48
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[but-2-enyl(methyl)amino]benzonitrile
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CID 130210199
N-(2-aminoethyl)-4-cyano-N-methylbenzamide
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4-[2-(dimethylaminomethylidene)-3-oxobutanoyl]benzonitrile
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4-[1,2-dichloro-2-(4-cyanophenyl)ethenyl]benzonitrile
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4-[2-(4-cyano-N-methylanilino)ethyl-methylamino]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-(dimethylamino)prop-1-enyl]benzonitrile?
The IUPAC name of 4-[(E)-1-(dimethylamino)prop-1-enyl]benzonitrile (CID 134569639) is 4-[(E)-1-(dimethylamino)prop-1-enyl]benzonitrile.
What is the SMILES notation for 4-[(E)-1-(dimethylamino)prop-1-enyl]benzonitrile?
The canonical SMILES for 4-[(E)-1-(dimethylamino)prop-1-enyl]benzonitrile is C/C=C(\c1ccc(C#N)cc1)N(C)C.
What is the InChIKey of 4-[(E)-1-(dimethylamino)prop-1-enyl]benzonitrile?
The InChIKey is VDFKWNVGJIQNPB-UUILKARUSA-N. The full InChI is InChI=1S/C12H14N2/c1-4-12(14(2)3)11-7-5-10(9-13)6-8-11/h4-8H,1-3H3/b12-4+.
What are the key properties of 4-[(E)-1-(dimethylamino)prop-1-enyl]benzonitrile?
4-[(E)-1-(dimethylamino)prop-1-enyl]benzonitrile has a molecular weight of 186.26 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-(dimethylamino)prop-1-enyl]benzonitrile is sourced from PubChem (CID 134569639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).