2-[2-(dimethylamino)ethenyl]benzonitrile

C11H12N2 — CID 54125819

IUPAC2-[2-(dimethylamino)ethenyl]benzonitrile
SMILESCN(C)C=Cc1ccccc1C#N
InChIInChI=1S/C11H12N2/c1-13(2)8-7-10-5-3-4-6-11(10)9-12/h3-8H,1-2H3
InChIKeyNQWNMOKEBMCNPO-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.09
Rot. Bonds2

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

2-[2-(dimethylamino)ethenyl]benzonitrile (PubChem CID 54125819) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethenyl]benzonitrile.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethenyl]benzonitrile
PubChem CID54125819
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name2-[2-(dimethylamino)ethenyl]benzonitrile
SMILESCN(C)C=Cc1ccccc1C#N
InChIInChI=1S/C11H12N2/c1-13(2)8-7-10-5-3-4-6-11(10)9-12/h3-8H,1-2H3
InChIKeyNQWNMOKEBMCNPO-UHFFFAOYSA-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

3-[2-(dimethylamino)ethenyl]pyridine-4-carbonitrile
CID 53441182
2-[(E)-2-cyanoethenyl]benzonitrile
CID 12698510
2-[(E)-3-oxoprop-1-enyl]benzonitrile
CID 19823346
2-(2-methylsulfonylethenyl)benzonitrile
CID 71427434
2-(4-methylpent-1-enyl)benzonitrile
CID 174854494
6-chloro-4-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile
CID 157038112
N,N-dimethyl-2-naphthalen-1-ylethenamine
CID 139703260
4-[(E)-2-(dimethylamino)ethenyl]benzonitrile
CID 75481575
2-(2-naphthalen-2-ylethenyl)benzonitrile
CID 54316772
2-[2-(3-methyl-1,2,4-triazol-1-yl)ethenyl]benzonitrile
CID 172864514
2-[(E)-3-(2-methylpropylamino)prop-1-enyl]benzonitrile
CID 107937113
5-phenylpenta-2,4-dienenitrile;2-prop-1-enylbenzonitrile
CID 158613192

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethenyl]benzonitrile?
The IUPAC name of 2-[2-(dimethylamino)ethenyl]benzonitrile (CID 54125819) is 2-[2-(dimethylamino)ethenyl]benzonitrile.
What is the SMILES notation for 2-[2-(dimethylamino)ethenyl]benzonitrile?
The canonical SMILES for 2-[2-(dimethylamino)ethenyl]benzonitrile is CN(C)C=Cc1ccccc1C#N.
What is the InChIKey of 2-[2-(dimethylamino)ethenyl]benzonitrile?
The InChIKey is NQWNMOKEBMCNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-13(2)8-7-10-5-3-4-6-11(10)9-12/h3-8H,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethenyl]benzonitrile?
2-[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 2-[2-(dimethylamino)ethenyl]benzonitrile is sourced from PubChem (CID 54125819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).