5-acetyl-3,6-dimethyl-1H-pyridin-2-one

C9H11NO2 — CID 19762907

IUPAC5-acetyl-3,6-dimethyl-1H-pyridin-2-one
SMILESCC(=O)c1cc(C)c(=O)[nH]c1C
InChIInChI=1S/C9H11NO2/c1-5-4-8(7(3)11)6(2)10-9(5)12/h4H,1-3H3,(H,10,12)
InChIKeyRKEOAWUVNJMNQH-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.19
Rot. Bonds1

About 5-acetyl-3,6-dimethyl-1H-pyridin-2-one

5-acetyl-3,6-dimethyl-1H-pyridin-2-one (PubChem CID 19762907) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 5-acetyl-3,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-acetyl-3,6-dimethyl-1H-pyridin-2-one
PubChem CID19762907
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name5-acetyl-3,6-dimethyl-1H-pyridin-2-one
SMILESCC(=O)c1cc(C)c(=O)[nH]c1C
InChIInChI=1S/C9H11NO2/c1-5-4-8(7(3)11)6(2)10-9(5)12/h4H,1-3H3,(H,10,12)
InChIKeyRKEOAWUVNJMNQH-UHFFFAOYSA-N
XLogP1.19
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 5-acetyl-3,6-dimethyl-1H-pyridin-2-one (CID 19762907) is 5-acetyl-3,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 5-acetyl-3,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 5-acetyl-3,6-dimethyl-1H-pyridin-2-one is CC(=O)c1cc(C)c(=O)[nH]c1C.
What is the InChIKey of 5-acetyl-3,6-dimethyl-1H-pyridin-2-one?
The InChIKey is RKEOAWUVNJMNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-5-4-8(7(3)11)6(2)10-9(5)12/h4H,1-3H3,(H,10,12).
What are the key properties of 5-acetyl-3,6-dimethyl-1H-pyridin-2-one?
5-acetyl-3,6-dimethyl-1H-pyridin-2-one has a molecular weight of 165.19 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 19762907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).