3-acetyl-1-cyclopropyl-6-methylpyridin-2-one

C11H13NO2 — CID 82525165

IUPAC3-acetyl-1-cyclopropyl-6-methylpyridin-2-one
SMILESCC(=O)c1ccc(C)n(C2CC2)c1=O
InChIInChI=1S/C11H13NO2/c1-7-3-6-10(8(2)13)11(14)12(7)9-4-5-9/h3,6,9H,4-5H2,1-2H3
InChIKeySAOOENSIHDAINI-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.69
Rot. Bonds2

About 3-acetyl-1-cyclopropyl-6-methylpyridin-2-one

3-acetyl-1-cyclopropyl-6-methylpyridin-2-one (PubChem CID 82525165) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-acetyl-1-cyclopropyl-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-acetyl-1-cyclopropyl-6-methylpyridin-2-one
PubChem CID82525165
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-acetyl-1-cyclopropyl-6-methylpyridin-2-one
SMILESCC(=O)c1ccc(C)n(C2CC2)c1=O
InChIInChI=1S/C11H13NO2/c1-7-3-6-10(8(2)13)11(14)12(7)9-4-5-9/h3,6,9H,4-5H2,1-2H3
InChIKeySAOOENSIHDAINI-UHFFFAOYSA-N
XLogP1.69
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-cyclopropyl-6-methylpyridin-2-one?
The IUPAC name of 3-acetyl-1-cyclopropyl-6-methylpyridin-2-one (CID 82525165) is 3-acetyl-1-cyclopropyl-6-methylpyridin-2-one.
What is the SMILES notation for 3-acetyl-1-cyclopropyl-6-methylpyridin-2-one?
The canonical SMILES for 3-acetyl-1-cyclopropyl-6-methylpyridin-2-one is CC(=O)c1ccc(C)n(C2CC2)c1=O.
What is the InChIKey of 3-acetyl-1-cyclopropyl-6-methylpyridin-2-one?
The InChIKey is SAOOENSIHDAINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-3-6-10(8(2)13)11(14)12(7)9-4-5-9/h3,6,9H,4-5H2,1-2H3.
What are the key properties of 3-acetyl-1-cyclopropyl-6-methylpyridin-2-one?
3-acetyl-1-cyclopropyl-6-methylpyridin-2-one has a molecular weight of 191.23 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-cyclopropyl-6-methylpyridin-2-one is sourced from PubChem (CID 82525165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).