2-ethenyl-3-(methylideneamino)imidazole-4-carbonitrile

C7H6N4 — CID 145148923

IUPAC2-ethenyl-3-(methylideneamino)imidazole-4-carbonitrile
SMILESC=Cc1ncc(C#N)n1N=C
InChIInChI=1S/C7H6N4/c1-3-7-10-5-6(4-8)11(7)9-2/h3,5H,1-2H2
InChIKeyXYJVYZJYVLCPAI-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.86
Rot. Bonds2

About 2-ethenyl-3-(methylideneamino)imidazole-4-carbonitrile

2-ethenyl-3-(methylideneamino)imidazole-4-carbonitrile (PubChem CID 145148923) has the molecular formula C7H6N4 and a molecular weight of 146.15 g/mol. Its IUPAC name is 2-ethenyl-3-(methylideneamino)imidazole-4-carbonitrile.

Molecular Properties

Compound Name2-ethenyl-3-(methylideneamino)imidazole-4-carbonitrile
PubChem CID145148923
Molecular FormulaC7H6N4
Molecular Weight146.15 g/mol
Exact Mass146.06
IUPAC Name2-ethenyl-3-(methylideneamino)imidazole-4-carbonitrile
SMILESC=Cc1ncc(C#N)n1N=C
InChIInChI=1S/C7H6N4/c1-3-7-10-5-6(4-8)11(7)9-2/h3,5H,1-2H2
InChIKeyXYJVYZJYVLCPAI-UHFFFAOYSA-N
XLogP0.86
TPSA53.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-(1,2,4-Triazol-1-yl)pyrazine-2-carbonitrile
CID 479372
1,2-dimethyl-1H-imidazole-5-carbonitrile
CID 3015048
8-fluoro-5H-imidazo[1,2-a]pyrimidine-3-carbonitrile
CID 126573765
N,N,2,5-tetramethylimidazol-1-amine
CID 12460725
1,2-dimethyl-1H-imidazole-4-carbonitrile
CID 12747516
2-Ethenylimidazole-1,4-dicarbonitrile
CID 22467198
1-Aminoimidazole-2,4-dicarbonitrile
CID 67745184
1-Aminoimidazole-4-carbonitrile
CID 68257698
1-Ethenylimidazole-2,4-dicarbonitrile
CID 68861118
2-Ethyl-1-methylimidazole-4-carbonitrile
CID 82651105
2-Ethyl-3-methylimidazole-4-carbonitrile
CID 84106937
1,2,3-Trimethylimidazol-1-ium-4-carbonitrile
CID 87431070

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-(methylideneamino)imidazole-4-carbonitrile?
The IUPAC name of 2-ethenyl-3-(methylideneamino)imidazole-4-carbonitrile (CID 145148923) is 2-ethenyl-3-(methylideneamino)imidazole-4-carbonitrile.
What is the SMILES notation for 2-ethenyl-3-(methylideneamino)imidazole-4-carbonitrile?
The canonical SMILES for 2-ethenyl-3-(methylideneamino)imidazole-4-carbonitrile is C=Cc1ncc(C#N)n1N=C.
What is the InChIKey of 2-ethenyl-3-(methylideneamino)imidazole-4-carbonitrile?
The InChIKey is XYJVYZJYVLCPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4/c1-3-7-10-5-6(4-8)11(7)9-2/h3,5H,1-2H2.
What are the key properties of 2-ethenyl-3-(methylideneamino)imidazole-4-carbonitrile?
2-ethenyl-3-(methylideneamino)imidazole-4-carbonitrile has a molecular weight of 146.15 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-(methylideneamino)imidazole-4-carbonitrile is sourced from PubChem (CID 145148923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).