6-methyl-1-(4-oxopentyl)pyridin-2-one

C11H15NO2 — CID 62023067

IUPAC6-methyl-1-(4-oxopentyl)pyridin-2-one
SMILESCC(=O)CCCn1c(C)cccc1=O
InChIInChI=1S/C11H15NO2/c1-9-5-3-7-11(14)12(9)8-4-6-10(2)13/h3,5,7H,4,6,8H2,1-2H3
InChIKeyJOBOSBMSTDARFK-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.53
Rot. Bonds4

About 6-methyl-1-(4-oxopentyl)pyridin-2-one

6-methyl-1-(4-oxopentyl)pyridin-2-one (PubChem CID 62023067) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 6-methyl-1-(4-oxopentyl)pyridin-2-one.

Molecular Properties

Compound Name6-methyl-1-(4-oxopentyl)pyridin-2-one
PubChem CID62023067
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name6-methyl-1-(4-oxopentyl)pyridin-2-one
SMILESCC(=O)CCCn1c(C)cccc1=O
InChIInChI=1S/C11H15NO2/c1-9-5-3-7-11(14)12(9)8-4-6-10(2)13/h3,5,7H,4,6,8H2,1-2H3
InChIKeyJOBOSBMSTDARFK-UHFFFAOYSA-N
XLogP1.53
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(4-oxopentyl)pyridin-2-one?
The IUPAC name of 6-methyl-1-(4-oxopentyl)pyridin-2-one (CID 62023067) is 6-methyl-1-(4-oxopentyl)pyridin-2-one.
What is the SMILES notation for 6-methyl-1-(4-oxopentyl)pyridin-2-one?
The canonical SMILES for 6-methyl-1-(4-oxopentyl)pyridin-2-one is CC(=O)CCCn1c(C)cccc1=O.
What is the InChIKey of 6-methyl-1-(4-oxopentyl)pyridin-2-one?
The InChIKey is JOBOSBMSTDARFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-9-5-3-7-11(14)12(9)8-4-6-10(2)13/h3,5,7H,4,6,8H2,1-2H3.
What are the key properties of 6-methyl-1-(4-oxopentyl)pyridin-2-one?
6-methyl-1-(4-oxopentyl)pyridin-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(4-oxopentyl)pyridin-2-one is sourced from PubChem (CID 62023067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).