2-[2-[4-(dimethylamino)phenyl]ethenyl]propanedinitrile

C13H13N3 — CID 151230311

IUPAC2-[2-[4-(dimethylamino)phenyl]ethenyl]propanedinitrile
SMILESCN(C)c1ccc(C=CC(C#N)C#N)cc1
InChIInChI=1S/C13H13N3/c1-16(2)13-7-5-11(6-8-13)3-4-12(9-14)10-15/h3-8,12H,1-2H3
InChIKeyNODINWKDRCEPQT-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.43
Rot. Bonds3

About 2-[2-[4-(dimethylamino)phenyl]ethenyl]propanedinitrile

2-[2-[4-(dimethylamino)phenyl]ethenyl]propanedinitrile (PubChem CID 151230311) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-[2-[4-(dimethylamino)phenyl]ethenyl]propanedinitrile.

Molecular Properties

Compound Name2-[2-[4-(dimethylamino)phenyl]ethenyl]propanedinitrile
PubChem CID151230311
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name2-[2-[4-(dimethylamino)phenyl]ethenyl]propanedinitrile
SMILESCN(C)c1ccc(C=CC(C#N)C#N)cc1
InChIInChI=1S/C13H13N3/c1-16(2)13-7-5-11(6-8-13)3-4-12(9-14)10-15/h3-8,12H,1-2H3
InChIKeyNODINWKDRCEPQT-UHFFFAOYSA-N
XLogP2.43
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
tris(dimethylamino)-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phosphanium
CID 10794043
4-[(E)-3,3-dimethoxyprop-1-enyl]-N,N-dimethylaniline
CID 101464618
2,4,6-tris[(E)-2-[4-(dimethylamino)phenyl]ethenyl]benzene-1,3,5-tricarbonitrile
CID 101132247
4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline
CID 58612965
4-N-[4-[(E)-2-[4-[(E)-2-[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-N-[4-(dimethylamino)phenyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 166784252
4-[(E)-2-[4-[bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 99649280
2-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]propanedinitrile
CID 14470354
(2R)-2-[[4-(dimethylamino)phenyl]methylideneamino]propanenitrile
CID 76764151
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
4-[(E)-3-[4-(dimethylamino)phenyl]-3-(propan-2-ylamino)prop-1-enyl]-N,N-dimethylaniline
CID 56837713
4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-methylbenzonitrile
CID 58915445

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(dimethylamino)phenyl]ethenyl]propanedinitrile?
The IUPAC name of 2-[2-[4-(dimethylamino)phenyl]ethenyl]propanedinitrile (CID 151230311) is 2-[2-[4-(dimethylamino)phenyl]ethenyl]propanedinitrile.
What is the SMILES notation for 2-[2-[4-(dimethylamino)phenyl]ethenyl]propanedinitrile?
The canonical SMILES for 2-[2-[4-(dimethylamino)phenyl]ethenyl]propanedinitrile is CN(C)c1ccc(C=CC(C#N)C#N)cc1.
What is the InChIKey of 2-[2-[4-(dimethylamino)phenyl]ethenyl]propanedinitrile?
The InChIKey is NODINWKDRCEPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-16(2)13-7-5-11(6-8-13)3-4-12(9-14)10-15/h3-8,12H,1-2H3.
What are the key properties of 2-[2-[4-(dimethylamino)phenyl]ethenyl]propanedinitrile?
2-[2-[4-(dimethylamino)phenyl]ethenyl]propanedinitrile has a molecular weight of 211.27 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(dimethylamino)phenyl]ethenyl]propanedinitrile is sourced from PubChem (CID 151230311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).