3-methyl-6aH-cyclopenta[d]imidazole

C7H8N2 — CID 134189491

IUPAC3-methyl-6aH-cyclopenta[d]imidazole
SMILESCN1C=NC2C=CC=C21
InChIInChI=1S/C7H8N2/c1-9-5-8-6-3-2-4-7(6)9/h2-6H,1H3
InChIKeyLPXBZBNNGUFMAU-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.78
Rot. Bonds

About 3-methyl-6aH-cyclopenta[d]imidazole

3-methyl-6aH-cyclopenta[d]imidazole (PubChem CID 134189491) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 3-methyl-6aH-cyclopenta[d]imidazole.

Molecular Properties

Compound Name3-methyl-6aH-cyclopenta[d]imidazole
PubChem CID134189491
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name3-methyl-6aH-cyclopenta[d]imidazole
SMILESCN1C=NC2C=CC=C21
InChIInChI=1S/C7H8N2/c1-9-5-8-6-3-2-4-7(6)9/h2-6H,1H3
InChIKeyLPXBZBNNGUFMAU-UHFFFAOYSA-N
XLogP0.78
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6aH-cyclopenta[d]imidazole?
The IUPAC name of 3-methyl-6aH-cyclopenta[d]imidazole (CID 134189491) is 3-methyl-6aH-cyclopenta[d]imidazole.
What is the SMILES notation for 3-methyl-6aH-cyclopenta[d]imidazole?
The canonical SMILES for 3-methyl-6aH-cyclopenta[d]imidazole is CN1C=NC2C=CC=C21.
What is the InChIKey of 3-methyl-6aH-cyclopenta[d]imidazole?
The InChIKey is LPXBZBNNGUFMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-9-5-8-6-3-2-4-7(6)9/h2-6H,1H3.
What are the key properties of 3-methyl-6aH-cyclopenta[d]imidazole?
3-methyl-6aH-cyclopenta[d]imidazole has a molecular weight of 120.15 g/mol, XLogP of 0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6aH-cyclopenta[d]imidazole is sourced from PubChem (CID 134189491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).