2-(2,6-dimethylanilino)ethene-1,1,2-tricarbonitrile

C13H10N4 — CID 13198991

IUPAC2-(2,6-dimethylanilino)ethene-1,1,2-tricarbonitrile
SMILESCc1cccc(C)c1NC(C#N)=C(C#N)C#N
InChIInChI=1S/C13H10N4/c1-9-4-3-5-10(2)13(9)17-12(8-16)11(6-14)7-15/h3-5,17H,1-2H3
InChIKeyDPRNOWZCUKLTGN-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.54
Rot. Bonds2

About 2-(2,6-dimethylanilino)ethene-1,1,2-tricarbonitrile

2-(2,6-dimethylanilino)ethene-1,1,2-tricarbonitrile (PubChem CID 13198991) has the molecular formula C13H10N4 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-(2,6-dimethylanilino)ethene-1,1,2-tricarbonitrile.

Molecular Properties

Compound Name2-(2,6-dimethylanilino)ethene-1,1,2-tricarbonitrile
PubChem CID13198991
Molecular FormulaC13H10N4
Molecular Weight222.25 g/mol
Exact Mass222.09
IUPAC Name2-(2,6-dimethylanilino)ethene-1,1,2-tricarbonitrile
SMILESCc1cccc(C)c1NC(C#N)=C(C#N)C#N
InChIInChI=1S/C13H10N4/c1-9-4-3-5-10(2)13(9)17-12(8-16)11(6-14)7-15/h3-5,17H,1-2H3
InChIKeyDPRNOWZCUKLTGN-UHFFFAOYSA-N
XLogP2.54
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.54
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-[3-methyl-2-(methylamino)anilino]ethene-1,1,2-tricarbonitrile
CID 168607866
2-(2-methyl-6-phenoxyanilino)ethene-1,1,2-tricarbonitrile
CID 168610270
2-(2-cyano-6-hydroxyanilino)ethene-1,1,2-tricarbonitrile
CID 168609627
2-[4-(2-methylphenyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168607446
(Z)-3-(2,6-dimethylanilino)but-2-enenitrile
CID 121011428
2-(2,3,6-trifluoroanilino)ethene-1,1,2-tricarbonitrile
CID 168606540
2-(2,6-dibromo-3,4-dimethylanilino)ethene-1,1,2-tricarbonitrile
CID 168606404
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
2-(2-phenylanilino)ethene-1,1,2-tricarbonitrile
CID 168606413
2-(2-fluoro-3-methyl-6-nitroanilino)ethene-1,1,2-tricarbonitrile
CID 168607507
2-(1-benzofuran-4-ylamino)ethene-1,1,2-tricarbonitrile
CID 168609922
2-[(2-methylquinolin-8-yl)amino]ethene-1,1,2-tricarbonitrile
CID 168606154

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylanilino)ethene-1,1,2-tricarbonitrile?
The IUPAC name of 2-(2,6-dimethylanilino)ethene-1,1,2-tricarbonitrile (CID 13198991) is 2-(2,6-dimethylanilino)ethene-1,1,2-tricarbonitrile.
What is the SMILES notation for 2-(2,6-dimethylanilino)ethene-1,1,2-tricarbonitrile?
The canonical SMILES for 2-(2,6-dimethylanilino)ethene-1,1,2-tricarbonitrile is Cc1cccc(C)c1NC(C#N)=C(C#N)C#N.
What is the InChIKey of 2-(2,6-dimethylanilino)ethene-1,1,2-tricarbonitrile?
The InChIKey is DPRNOWZCUKLTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4/c1-9-4-3-5-10(2)13(9)17-12(8-16)11(6-14)7-15/h3-5,17H,1-2H3.
What are the key properties of 2-(2,6-dimethylanilino)ethene-1,1,2-tricarbonitrile?
2-(2,6-dimethylanilino)ethene-1,1,2-tricarbonitrile has a molecular weight of 222.25 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylanilino)ethene-1,1,2-tricarbonitrile is sourced from PubChem (CID 13198991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).