2-(2-phenylanilino)ethene-1,1,2-tricarbonitrile

C17H10N4 — CID 168606413

IUPAC2-(2-phenylanilino)ethene-1,1,2-tricarbonitrile
SMILESN#CC(C#N)=C(C#N)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C17H10N4/c18-10-14(11-19)17(12-20)21-16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-9,21H
InChIKeyLEUHBQPEBDGAGR-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.59
Rot. Bonds3

About 2-(2-phenylanilino)ethene-1,1,2-tricarbonitrile

2-(2-phenylanilino)ethene-1,1,2-tricarbonitrile (PubChem CID 168606413) has the molecular formula C17H10N4 and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-(2-phenylanilino)ethene-1,1,2-tricarbonitrile.

Molecular Properties

Compound Name2-(2-phenylanilino)ethene-1,1,2-tricarbonitrile
PubChem CID168606413
Molecular FormulaC17H10N4
Molecular Weight270.30 g/mol
Exact Mass270.09
IUPAC Name2-(2-phenylanilino)ethene-1,1,2-tricarbonitrile
SMILESN#CC(C#N)=C(C#N)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C17H10N4/c18-10-14(11-19)17(12-20)21-16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-9,21H
InChIKeyLEUHBQPEBDGAGR-UHFFFAOYSA-N
XLogP3.59
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-methylphenyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168607446
2-[2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]anilino]ethene-1,1,2-tricarbonitrile
CID 168606442
1-[(Z)-2-amino-1,2-dicyanoethenyl]-3-(2-phenylphenyl)urea
CID 57474704
2-[2-(1,3-benzoxazol-2-yl)anilino]ethene-1,1,2-tricarbonitrile
CID 168610199
1-(2-cyanophenyl)-3-(2-phenylphenyl)urea
CID 102229386
2-[3-methyl-2-(methylamino)anilino]ethene-1,1,2-tricarbonitrile
CID 168607866
2-[2-(methoxymethoxy)anilino]ethene-1,1,2-tricarbonitrile
CID 168607208
2-(2-propylsulfanylanilino)ethene-1,1,2-tricarbonitrile
CID 168607632
2-(2,6-dimethylanilino)ethene-1,1,2-tricarbonitrile
CID 13198991
3-(2-phenylanilino)butanenitrile
CID 60913959
2-(2-phenylanilino)propanenitrile
CID 54941632
2-[4-(2-nitrophenyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168608614

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylanilino)ethene-1,1,2-tricarbonitrile?
The IUPAC name of 2-(2-phenylanilino)ethene-1,1,2-tricarbonitrile (CID 168606413) is 2-(2-phenylanilino)ethene-1,1,2-tricarbonitrile.
What is the SMILES notation for 2-(2-phenylanilino)ethene-1,1,2-tricarbonitrile?
The canonical SMILES for 2-(2-phenylanilino)ethene-1,1,2-tricarbonitrile is N#CC(C#N)=C(C#N)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-(2-phenylanilino)ethene-1,1,2-tricarbonitrile?
The InChIKey is LEUHBQPEBDGAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4/c18-10-14(11-19)17(12-20)21-16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-9,21H.
What are the key properties of 2-(2-phenylanilino)ethene-1,1,2-tricarbonitrile?
2-(2-phenylanilino)ethene-1,1,2-tricarbonitrile has a molecular weight of 270.30 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylanilino)ethene-1,1,2-tricarbonitrile is sourced from PubChem (CID 168606413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).