1-cyclopropyl-4,5-dimethylideneimidazole

C8H10N2 — CID 123614020

IUPAC1-cyclopropyl-4,5-dimethylideneimidazole
SMILESC=c1ncn(C2CC2)c1=C
InChIInChI=1S/C8H10N2/c1-6-7(2)10(5-9-6)8-3-4-8/h5,8H,1-4H2
InChIKeyZKOXOOPCAKZOBY-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.04
Rot. Bonds1

About 1-cyclopropyl-4,5-dimethylideneimidazole

1-cyclopropyl-4,5-dimethylideneimidazole (PubChem CID 123614020) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1-cyclopropyl-4,5-dimethylideneimidazole.

Molecular Properties

Compound Name1-cyclopropyl-4,5-dimethylideneimidazole
PubChem CID123614020
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name1-cyclopropyl-4,5-dimethylideneimidazole
SMILESC=c1ncn(C2CC2)c1=C
InChIInChI=1S/C8H10N2/c1-6-7(2)10(5-9-6)8-3-4-8/h5,8H,1-4H2
InChIKeyZKOXOOPCAKZOBY-UHFFFAOYSA-N
XLogP0.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4,5-dimethylideneimidazole?
The IUPAC name of 1-cyclopropyl-4,5-dimethylideneimidazole (CID 123614020) is 1-cyclopropyl-4,5-dimethylideneimidazole.
What is the SMILES notation for 1-cyclopropyl-4,5-dimethylideneimidazole?
The canonical SMILES for 1-cyclopropyl-4,5-dimethylideneimidazole is C=c1ncn(C2CC2)c1=C.
What is the InChIKey of 1-cyclopropyl-4,5-dimethylideneimidazole?
The InChIKey is ZKOXOOPCAKZOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-6-7(2)10(5-9-6)8-3-4-8/h5,8H,1-4H2.
What are the key properties of 1-cyclopropyl-4,5-dimethylideneimidazole?
1-cyclopropyl-4,5-dimethylideneimidazole has a molecular weight of 134.18 g/mol, XLogP of 0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4,5-dimethylideneimidazole is sourced from PubChem (CID 123614020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).