5-methyl-1-(4-oxocyclohexyl)pyridin-2-one

C12H15NO2 — CID 59541095

IUPAC5-methyl-1-(4-oxocyclohexyl)pyridin-2-one
SMILESCc1ccc(=O)n(C2CCC(=O)CC2)c1
InChIInChI=1S/C12H15NO2/c1-9-2-7-12(15)13(8-9)10-3-5-11(14)6-4-10/h2,7-8,10H,3-6H2,1H3
InChIKeySJHWBIVEZYYVJD-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.84
Rot. Bonds1

About 5-methyl-1-(4-oxocyclohexyl)pyridin-2-one

5-methyl-1-(4-oxocyclohexyl)pyridin-2-one (PubChem CID 59541095) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-methyl-1-(4-oxocyclohexyl)pyridin-2-one.

Molecular Properties

Compound Name5-methyl-1-(4-oxocyclohexyl)pyridin-2-one
PubChem CID59541095
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name5-methyl-1-(4-oxocyclohexyl)pyridin-2-one
SMILESCc1ccc(=O)n(C2CCC(=O)CC2)c1
InChIInChI=1S/C12H15NO2/c1-9-2-7-12(15)13(8-9)10-3-5-11(14)6-4-10/h2,7-8,10H,3-6H2,1H3
InChIKeySJHWBIVEZYYVJD-UHFFFAOYSA-N
XLogP1.84
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-oxocyclohexyl)pyridin-2-one?
The IUPAC name of 5-methyl-1-(4-oxocyclohexyl)pyridin-2-one (CID 59541095) is 5-methyl-1-(4-oxocyclohexyl)pyridin-2-one.
What is the SMILES notation for 5-methyl-1-(4-oxocyclohexyl)pyridin-2-one?
The canonical SMILES for 5-methyl-1-(4-oxocyclohexyl)pyridin-2-one is Cc1ccc(=O)n(C2CCC(=O)CC2)c1.
What is the InChIKey of 5-methyl-1-(4-oxocyclohexyl)pyridin-2-one?
The InChIKey is SJHWBIVEZYYVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9-2-7-12(15)13(8-9)10-3-5-11(14)6-4-10/h2,7-8,10H,3-6H2,1H3.
What are the key properties of 5-methyl-1-(4-oxocyclohexyl)pyridin-2-one?
5-methyl-1-(4-oxocyclohexyl)pyridin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-oxocyclohexyl)pyridin-2-one is sourced from PubChem (CID 59541095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).