1-(cyclopropylidenemethyl)imidazole-4,5-dicarbonitrile

C9H6N4 — CID 123584277

IUPAC1-(cyclopropylidenemethyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(C=C2CC2)c1C#N
InChIInChI=1S/C9H6N4/c10-3-8-9(4-11)13(6-12-8)5-7-1-2-7/h5-6H,1-2H2
InChIKeyJAKKBBXVFIWPIK-UHFFFAOYSA-N
MW170.17 g/mol
LogP1.26
Rot. Bonds1

About 1-(cyclopropylidenemethyl)imidazole-4,5-dicarbonitrile

1-(cyclopropylidenemethyl)imidazole-4,5-dicarbonitrile (PubChem CID 123584277) has the molecular formula C9H6N4 and a molecular weight of 170.17 g/mol. Its IUPAC name is 1-(cyclopropylidenemethyl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-(cyclopropylidenemethyl)imidazole-4,5-dicarbonitrile
PubChem CID123584277
Molecular FormulaC9H6N4
Molecular Weight170.17 g/mol
Exact Mass170.06
IUPAC Name1-(cyclopropylidenemethyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(C=C2CC2)c1C#N
InChIInChI=1S/C9H6N4/c10-3-8-9(4-11)13(6-12-8)5-7-1-2-7/h5-6H,1-2H2
InChIKeyJAKKBBXVFIWPIK-UHFFFAOYSA-N
XLogP1.26
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylidenemethyl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-(cyclopropylidenemethyl)imidazole-4,5-dicarbonitrile (CID 123584277) is 1-(cyclopropylidenemethyl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-(cyclopropylidenemethyl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-(cyclopropylidenemethyl)imidazole-4,5-dicarbonitrile is N#Cc1ncn(C=C2CC2)c1C#N.
What is the InChIKey of 1-(cyclopropylidenemethyl)imidazole-4,5-dicarbonitrile?
The InChIKey is JAKKBBXVFIWPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4/c10-3-8-9(4-11)13(6-12-8)5-7-1-2-7/h5-6H,1-2H2.
What are the key properties of 1-(cyclopropylidenemethyl)imidazole-4,5-dicarbonitrile?
1-(cyclopropylidenemethyl)imidazole-4,5-dicarbonitrile has a molecular weight of 170.17 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylidenemethyl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 123584277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).