3-[(2-methylcyclopentyl)methyl]-1H-imidazol-2-one

C10H16N2O — CID 107421362

IUPAC3-[(2-methylcyclopentyl)methyl]-1H-imidazol-2-one
SMILESCC1CCCC1Cn1cc[nH]c1=O
InChIInChI=1S/C10H16N2O/c1-8-3-2-4-9(8)7-12-6-5-11-10(12)13/h5-6,8-9H,2-4,7H2,1H3,(H,11,13)
InChIKeyJYGUHXKTDUIMTR-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.61
Rot. Bonds2

About 3-[(2-methylcyclopentyl)methyl]-1H-imidazol-2-one

3-[(2-methylcyclopentyl)methyl]-1H-imidazol-2-one (PubChem CID 107421362) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-[(2-methylcyclopentyl)methyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[(2-methylcyclopentyl)methyl]-1H-imidazol-2-one
PubChem CID107421362
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-[(2-methylcyclopentyl)methyl]-1H-imidazol-2-one
SMILESCC1CCCC1Cn1cc[nH]c1=O
InChIInChI=1S/C10H16N2O/c1-8-3-2-4-9(8)7-12-6-5-11-10(12)13/h5-6,8-9H,2-4,7H2,1H3,(H,11,13)
InChIKeyJYGUHXKTDUIMTR-UHFFFAOYSA-N
XLogP1.61
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclopentyl)methyl]-1H-imidazol-2-one?
The IUPAC name of 3-[(2-methylcyclopentyl)methyl]-1H-imidazol-2-one (CID 107421362) is 3-[(2-methylcyclopentyl)methyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[(2-methylcyclopentyl)methyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[(2-methylcyclopentyl)methyl]-1H-imidazol-2-one is CC1CCCC1Cn1cc[nH]c1=O.
What is the InChIKey of 3-[(2-methylcyclopentyl)methyl]-1H-imidazol-2-one?
The InChIKey is JYGUHXKTDUIMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8-3-2-4-9(8)7-12-6-5-11-10(12)13/h5-6,8-9H,2-4,7H2,1H3,(H,11,13).
What are the key properties of 3-[(2-methylcyclopentyl)methyl]-1H-imidazol-2-one?
3-[(2-methylcyclopentyl)methyl]-1H-imidazol-2-one has a molecular weight of 180.25 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclopentyl)methyl]-1H-imidazol-2-one is sourced from PubChem (CID 107421362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).