1-ethenylimidazole-2,4-dicarbonitrile

C7H4N4 — CID 68861118

IUPAC1-ethenylimidazole-2,4-dicarbonitrile
SMILESC=Cn1cc(C#N)nc1C#N
InChIInChI=1S/C7H4N4/c1-2-11-5-6(3-8)10-7(11)4-9/h2,5H,1H2
InChIKeyAVRSQZFDQZYBTM-UHFFFAOYSA-N
MW144.14 g/mol
LogP0.73
Rot. Bonds1

About 1-ethenylimidazole-2,4-dicarbonitrile

1-ethenylimidazole-2,4-dicarbonitrile (PubChem CID 68861118) has the molecular formula C7H4N4 and a molecular weight of 144.14 g/mol. Its IUPAC name is 1-ethenylimidazole-2,4-dicarbonitrile.

Molecular Properties

Compound Name1-ethenylimidazole-2,4-dicarbonitrile
PubChem CID68861118
Molecular FormulaC7H4N4
Molecular Weight144.14 g/mol
Exact Mass144.04
IUPAC Name1-ethenylimidazole-2,4-dicarbonitrile
SMILESC=Cn1cc(C#N)nc1C#N
InChIInChI=1S/C7H4N4/c1-2-11-5-6(3-8)10-7(11)4-9/h2,5H,1H2
InChIKeyAVRSQZFDQZYBTM-UHFFFAOYSA-N
XLogP0.73
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.14
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylimidazole-2,4-dicarbonitrile?
The IUPAC name of 1-ethenylimidazole-2,4-dicarbonitrile (CID 68861118) is 1-ethenylimidazole-2,4-dicarbonitrile.
What is the SMILES notation for 1-ethenylimidazole-2,4-dicarbonitrile?
The canonical SMILES for 1-ethenylimidazole-2,4-dicarbonitrile is C=Cn1cc(C#N)nc1C#N.
What is the InChIKey of 1-ethenylimidazole-2,4-dicarbonitrile?
The InChIKey is AVRSQZFDQZYBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N4/c1-2-11-5-6(3-8)10-7(11)4-9/h2,5H,1H2.
What are the key properties of 1-ethenylimidazole-2,4-dicarbonitrile?
1-ethenylimidazole-2,4-dicarbonitrile has a molecular weight of 144.14 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylimidazole-2,4-dicarbonitrile is sourced from PubChem (CID 68861118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).