3-(3-oxocyclopentyl)pyrimidin-4-one

C9H10N2O2 — CID 126857510

IUPAC3-(3-oxocyclopentyl)pyrimidin-4-one
SMILESO=C1CCC(n2cnccc2=O)C1
InChIInChI=1S/C9H10N2O2/c12-8-2-1-7(5-8)11-6-10-4-3-9(11)13/h3-4,6-7H,1-2,5H2
InChIKeyQIDCCQBMKXSQQL-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.54
Rot. Bonds1

About 3-(3-oxocyclopentyl)pyrimidin-4-one

3-(3-oxocyclopentyl)pyrimidin-4-one (PubChem CID 126857510) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 3-(3-oxocyclopentyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-oxocyclopentyl)pyrimidin-4-one
PubChem CID126857510
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name3-(3-oxocyclopentyl)pyrimidin-4-one
SMILESO=C1CCC(n2cnccc2=O)C1
InChIInChI=1S/C9H10N2O2/c12-8-2-1-7(5-8)11-6-10-4-3-9(11)13/h3-4,6-7H,1-2,5H2
InChIKeyQIDCCQBMKXSQQL-UHFFFAOYSA-N
XLogP0.54
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-oxocyclopentyl)pyrimidin-4-one?
The IUPAC name of 3-(3-oxocyclopentyl)pyrimidin-4-one (CID 126857510) is 3-(3-oxocyclopentyl)pyrimidin-4-one.
What is the SMILES notation for 3-(3-oxocyclopentyl)pyrimidin-4-one?
The canonical SMILES for 3-(3-oxocyclopentyl)pyrimidin-4-one is O=C1CCC(n2cnccc2=O)C1.
What is the InChIKey of 3-(3-oxocyclopentyl)pyrimidin-4-one?
The InChIKey is QIDCCQBMKXSQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c12-8-2-1-7(5-8)11-6-10-4-3-9(11)13/h3-4,6-7H,1-2,5H2.
What are the key properties of 3-(3-oxocyclopentyl)pyrimidin-4-one?
3-(3-oxocyclopentyl)pyrimidin-4-one has a molecular weight of 178.19 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxocyclopentyl)pyrimidin-4-one is sourced from PubChem (CID 126857510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).