3-[1-(hydroxymethyl)cyclopentyl]-1H-imidazol-2-one

C9H14N2O2 — CID 103124667

IUPAC3-[1-(hydroxymethyl)cyclopentyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1C1(CO)CCCC1
InChIInChI=1S/C9H14N2O2/c12-7-9(3-1-2-4-9)11-6-5-10-8(11)13/h5-6,12H,1-4,7H2,(H,10,13)
InChIKeyRLRNEHVRRDTMTA-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.44
Rot. Bonds2

About 3-[1-(hydroxymethyl)cyclopentyl]-1H-imidazol-2-one

3-[1-(hydroxymethyl)cyclopentyl]-1H-imidazol-2-one (PubChem CID 103124667) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-[1-(hydroxymethyl)cyclopentyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[1-(hydroxymethyl)cyclopentyl]-1H-imidazol-2-one
PubChem CID103124667
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-[1-(hydroxymethyl)cyclopentyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1C1(CO)CCCC1
InChIInChI=1S/C9H14N2O2/c12-7-9(3-1-2-4-9)11-6-5-10-8(11)13/h5-6,12H,1-4,7H2,(H,10,13)
InChIKeyRLRNEHVRRDTMTA-UHFFFAOYSA-N
XLogP0.44
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(hydroxymethyl)cyclopentyl]-1H-imidazol-2-one?
The IUPAC name of 3-[1-(hydroxymethyl)cyclopentyl]-1H-imidazol-2-one (CID 103124667) is 3-[1-(hydroxymethyl)cyclopentyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[1-(hydroxymethyl)cyclopentyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[1-(hydroxymethyl)cyclopentyl]-1H-imidazol-2-one is O=c1[nH]ccn1C1(CO)CCCC1.
What is the InChIKey of 3-[1-(hydroxymethyl)cyclopentyl]-1H-imidazol-2-one?
The InChIKey is RLRNEHVRRDTMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-7-9(3-1-2-4-9)11-6-5-10-8(11)13/h5-6,12H,1-4,7H2,(H,10,13).
What are the key properties of 3-[1-(hydroxymethyl)cyclopentyl]-1H-imidazol-2-one?
3-[1-(hydroxymethyl)cyclopentyl]-1H-imidazol-2-one has a molecular weight of 182.22 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(hydroxymethyl)cyclopentyl]-1H-imidazol-2-one is sourced from PubChem (CID 103124667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).