2-[2,3-bis(prop-2-enyl)anilino]ethene-1,1,2-tricarbonitrile

C17H14N4 — CID 19972270

IUPAC2-[2,3-bis(prop-2-enyl)anilino]ethene-1,1,2-tricarbonitrile
SMILESC=CCc1cccc(NC(C#N)=C(C#N)C#N)c1CC=C
InChIInChI=1S/C17H14N4/c1-3-6-13-8-5-9-16(15(13)7-4-2)21-17(12-20)14(10-18)11-19/h3-5,8-9,21H,1-2,6-7H2
InChIKeyZTAVTYSKGWWKIO-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.38
Rot. Bonds6

About 2-[2,3-bis(prop-2-enyl)anilino]ethene-1,1,2-tricarbonitrile

2-[2,3-bis(prop-2-enyl)anilino]ethene-1,1,2-tricarbonitrile (PubChem CID 19972270) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-[2,3-bis(prop-2-enyl)anilino]ethene-1,1,2-tricarbonitrile.

Molecular Properties

Compound Name2-[2,3-bis(prop-2-enyl)anilino]ethene-1,1,2-tricarbonitrile
PubChem CID19972270
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name2-[2,3-bis(prop-2-enyl)anilino]ethene-1,1,2-tricarbonitrile
SMILESC=CCc1cccc(NC(C#N)=C(C#N)C#N)c1CC=C
InChIInChI=1S/C17H14N4/c1-3-6-13-8-5-9-16(15(13)7-4-2)21-17(12-20)14(10-18)11-19/h3-5,8-9,21H,1-2,6-7H2
InChIKeyZTAVTYSKGWWKIO-UHFFFAOYSA-N
XLogP3.38
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxy-3-prop-2-enylanilino)-6-prop-2-enylphenol
CID 70357054
1-[[2,3-bis(prop-2-enyl)phenyl]methyl]-2,3-bis(prop-2-enyl)benzene
CID 70536886
2-[3-methyl-2-(methylamino)anilino]ethene-1,1,2-tricarbonitrile
CID 168607866
2-(2,6-dimethylanilino)ethene-1,1,2-tricarbonitrile
CID 13198991
2-(2-propylsulfanylanilino)ethene-1,1,2-tricarbonitrile
CID 168607632
2,6-bis(prop-2-enyl)benzonitrile
CID 67300787
2-(2-phenylanilino)ethene-1,1,2-tricarbonitrile
CID 168606413
1-[2,3-bis(prop-2-enyl)phenyl]ethanone
CID 173386054
2-[(2-methylquinolin-8-yl)amino]ethene-1,1,2-tricarbonitrile
CID 168606154
2-[4-chloro-2-(hydroxymethyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168606276
2-(1-benzofuran-4-ylamino)ethene-1,1,2-tricarbonitrile
CID 168609922
2-iodo-3-(1,2,2-tricyanoethenylamino)benzoic acid
CID 168609903

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis(prop-2-enyl)anilino]ethene-1,1,2-tricarbonitrile?
The IUPAC name of 2-[2,3-bis(prop-2-enyl)anilino]ethene-1,1,2-tricarbonitrile (CID 19972270) is 2-[2,3-bis(prop-2-enyl)anilino]ethene-1,1,2-tricarbonitrile.
What is the SMILES notation for 2-[2,3-bis(prop-2-enyl)anilino]ethene-1,1,2-tricarbonitrile?
The canonical SMILES for 2-[2,3-bis(prop-2-enyl)anilino]ethene-1,1,2-tricarbonitrile is C=CCc1cccc(NC(C#N)=C(C#N)C#N)c1CC=C.
What is the InChIKey of 2-[2,3-bis(prop-2-enyl)anilino]ethene-1,1,2-tricarbonitrile?
The InChIKey is ZTAVTYSKGWWKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-3-6-13-8-5-9-16(15(13)7-4-2)21-17(12-20)14(10-18)11-19/h3-5,8-9,21H,1-2,6-7H2.
What are the key properties of 2-[2,3-bis(prop-2-enyl)anilino]ethene-1,1,2-tricarbonitrile?
2-[2,3-bis(prop-2-enyl)anilino]ethene-1,1,2-tricarbonitrile has a molecular weight of 274.33 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-bis(prop-2-enyl)anilino]ethene-1,1,2-tricarbonitrile is sourced from PubChem (CID 19972270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).