4,6-dimethyl-1-(2-oxopropyl)pyridin-2-one

C10H13NO2 — CID 59085581

IUPAC4,6-dimethyl-1-(2-oxopropyl)pyridin-2-one
SMILESCC(=O)Cn1c(C)cc(C)cc1=O
InChIInChI=1S/C10H13NO2/c1-7-4-8(2)11(6-9(3)12)10(13)5-7/h4-5H,6H2,1-3H3
InChIKeyOUSHPDRNDRNSFS-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.05
Rot. Bonds2

About 4,6-dimethyl-1-(2-oxopropyl)pyridin-2-one

4,6-dimethyl-1-(2-oxopropyl)pyridin-2-one (PubChem CID 59085581) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 4,6-dimethyl-1-(2-oxopropyl)pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-1-(2-oxopropyl)pyridin-2-one
PubChem CID59085581
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name4,6-dimethyl-1-(2-oxopropyl)pyridin-2-one
SMILESCC(=O)Cn1c(C)cc(C)cc1=O
InChIInChI=1S/C10H13NO2/c1-7-4-8(2)11(6-9(3)12)10(13)5-7/h4-5H,6H2,1-3H3
InChIKeyOUSHPDRNDRNSFS-UHFFFAOYSA-N
XLogP1.05
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-(2-oxopropyl)pyridin-2-one?
The IUPAC name of 4,6-dimethyl-1-(2-oxopropyl)pyridin-2-one (CID 59085581) is 4,6-dimethyl-1-(2-oxopropyl)pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-1-(2-oxopropyl)pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-1-(2-oxopropyl)pyridin-2-one is CC(=O)Cn1c(C)cc(C)cc1=O.
What is the InChIKey of 4,6-dimethyl-1-(2-oxopropyl)pyridin-2-one?
The InChIKey is OUSHPDRNDRNSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-4-8(2)11(6-9(3)12)10(13)5-7/h4-5H,6H2,1-3H3.
What are the key properties of 4,6-dimethyl-1-(2-oxopropyl)pyridin-2-one?
4,6-dimethyl-1-(2-oxopropyl)pyridin-2-one has a molecular weight of 179.22 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-(2-oxopropyl)pyridin-2-one is sourced from PubChem (CID 59085581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).