4-[(E)-2-(dimethylamino)ethenyl]benzonitrile

C11H12N2 — CID 75481575

IUPAC4-[(E)-2-(dimethylamino)ethenyl]benzonitrile
SMILESCN(C)/C=C/c1ccc(C#N)cc1
InChIInChI=1S/C11H12N2/c1-13(2)8-7-10-3-5-11(9-12)6-4-10/h3-8H,1-2H3/b8-7+
InChIKeyGERUSRRNDBSLNO-BQYQJAHWSA-N
MW172.23 g/mol
LogP2.09
Rot. Bonds2

About 4-[(E)-2-(dimethylamino)ethenyl]benzonitrile

4-[(E)-2-(dimethylamino)ethenyl]benzonitrile (PubChem CID 75481575) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-[(E)-2-(dimethylamino)ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-2-(dimethylamino)ethenyl]benzonitrile
PubChem CID75481575
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name4-[(E)-2-(dimethylamino)ethenyl]benzonitrile
SMILESCN(C)/C=C/c1ccc(C#N)cc1
InChIInChI=1S/C11H12N2/c1-13(2)8-7-10-3-5-11(9-12)6-4-10/h3-8H,1-2H3/b8-7+
InChIKeyGERUSRRNDBSLNO-BQYQJAHWSA-N
XLogP2.09
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 10857270
4-prop-1-enylbenzonitrile
CID 68719840
4-[(1E,4E)-5-[4-(dimethylamino)phenyl]-3-oxopenta-1,4-dienyl]benzonitrile
CID 20513546
4-[(E)-2-[4-(4-cyanoanilino)phenyl]ethenyl]benzonitrile
CID 101467306
4-[(E)-3-oxobut-1-enyl]benzonitrile
CID 11126721
(Z)-N,N-dimethyl-2-(4-nitrophenyl)ethenamine
CID 129396648
4-[(E)-pent-1-enyl]benzonitrile
CID 15363946
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-(2-ethylsulfanylethenyl)benzonitrile
CID 71427451
4-[(E)-2-[4-[methyl-bis(trimethylsilyl)silyl]phenyl]ethenyl]benzonitrile
CID 10644308
4-(2-ethoxyethenyl)benzonitrile
CID 131843899
4-[(E)-3,3,3-trifluoroprop-1-enyl]benzonitrile
CID 10987201

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(dimethylamino)ethenyl]benzonitrile?
The IUPAC name of 4-[(E)-2-(dimethylamino)ethenyl]benzonitrile (CID 75481575) is 4-[(E)-2-(dimethylamino)ethenyl]benzonitrile.
What is the SMILES notation for 4-[(E)-2-(dimethylamino)ethenyl]benzonitrile?
The canonical SMILES for 4-[(E)-2-(dimethylamino)ethenyl]benzonitrile is CN(C)/C=C/c1ccc(C#N)cc1.
What is the InChIKey of 4-[(E)-2-(dimethylamino)ethenyl]benzonitrile?
The InChIKey is GERUSRRNDBSLNO-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H12N2/c1-13(2)8-7-10-3-5-11(9-12)6-4-10/h3-8H,1-2H3/b8-7+.
What are the key properties of 4-[(E)-2-(dimethylamino)ethenyl]benzonitrile?
4-[(E)-2-(dimethylamino)ethenyl]benzonitrile has a molecular weight of 172.23 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(dimethylamino)ethenyl]benzonitrile is sourced from PubChem (CID 75481575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).