3-cyclopentyl-5-methyl-1H-imidazol-2-one

C9H14N2O — CID 45088913

IUPAC3-cyclopentyl-5-methyl-1H-imidazol-2-one
SMILESCc1cn(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C9H14N2O/c1-7-6-11(9(12)10-7)8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,10,12)
InChIKeyFFFAGLULJBZGKT-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.60
Rot. Bonds1

About 3-cyclopentyl-5-methyl-1H-imidazol-2-one

3-cyclopentyl-5-methyl-1H-imidazol-2-one (PubChem CID 45088913) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-cyclopentyl-5-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-cyclopentyl-5-methyl-1H-imidazol-2-one
PubChem CID45088913
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-cyclopentyl-5-methyl-1H-imidazol-2-one
SMILESCc1cn(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C9H14N2O/c1-7-6-11(9(12)10-7)8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,10,12)
InChIKeyFFFAGLULJBZGKT-UHFFFAOYSA-N
XLogP1.60
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-methyl-1H-imidazol-2-one?
The IUPAC name of 3-cyclopentyl-5-methyl-1H-imidazol-2-one (CID 45088913) is 3-cyclopentyl-5-methyl-1H-imidazol-2-one.
What is the SMILES notation for 3-cyclopentyl-5-methyl-1H-imidazol-2-one?
The canonical SMILES for 3-cyclopentyl-5-methyl-1H-imidazol-2-one is Cc1cn(C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 3-cyclopentyl-5-methyl-1H-imidazol-2-one?
The InChIKey is FFFAGLULJBZGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-6-11(9(12)10-7)8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,10,12).
What are the key properties of 3-cyclopentyl-5-methyl-1H-imidazol-2-one?
3-cyclopentyl-5-methyl-1H-imidazol-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-methyl-1H-imidazol-2-one is sourced from PubChem (CID 45088913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).