1-(2-methyl-5-oxocyclohexyl)pyrimidin-2-one

C11H14N2O2 — CID 165499291

IUPAC1-(2-methyl-5-oxocyclohexyl)pyrimidin-2-one
SMILESCC1CCC(=O)CC1n1cccnc1=O
InChIInChI=1S/C11H14N2O2/c1-8-3-4-9(14)7-10(8)13-6-2-5-12-11(13)15/h2,5-6,8,10H,3-4,7H2,1H3
InChIKeyROLYOKNNCRGAJF-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.17
Rot. Bonds1

About 1-(2-methyl-5-oxocyclohexyl)pyrimidin-2-one

1-(2-methyl-5-oxocyclohexyl)pyrimidin-2-one (PubChem CID 165499291) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-(2-methyl-5-oxocyclohexyl)pyrimidin-2-one.

Molecular Properties

Compound Name1-(2-methyl-5-oxocyclohexyl)pyrimidin-2-one
PubChem CID165499291
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name1-(2-methyl-5-oxocyclohexyl)pyrimidin-2-one
SMILESCC1CCC(=O)CC1n1cccnc1=O
InChIInChI=1S/C11H14N2O2/c1-8-3-4-9(14)7-10(8)13-6-2-5-12-11(13)15/h2,5-6,8,10H,3-4,7H2,1H3
InChIKeyROLYOKNNCRGAJF-UHFFFAOYSA-N
XLogP1.17
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-oxocyclohexyl)pyrimidin-2-one?
The IUPAC name of 1-(2-methyl-5-oxocyclohexyl)pyrimidin-2-one (CID 165499291) is 1-(2-methyl-5-oxocyclohexyl)pyrimidin-2-one.
What is the SMILES notation for 1-(2-methyl-5-oxocyclohexyl)pyrimidin-2-one?
The canonical SMILES for 1-(2-methyl-5-oxocyclohexyl)pyrimidin-2-one is CC1CCC(=O)CC1n1cccnc1=O.
What is the InChIKey of 1-(2-methyl-5-oxocyclohexyl)pyrimidin-2-one?
The InChIKey is ROLYOKNNCRGAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8-3-4-9(14)7-10(8)13-6-2-5-12-11(13)15/h2,5-6,8,10H,3-4,7H2,1H3.
What are the key properties of 1-(2-methyl-5-oxocyclohexyl)pyrimidin-2-one?
1-(2-methyl-5-oxocyclohexyl)pyrimidin-2-one has a molecular weight of 206.24 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-oxocyclohexyl)pyrimidin-2-one is sourced from PubChem (CID 165499291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).