3-acetyl-1-butylpyridin-2-one

C11H15NO2 — CID 82526873

IUPAC3-acetyl-1-butylpyridin-2-one
SMILESCCCCn1cccc(C(C)=O)c1=O
InChIInChI=1S/C11H15NO2/c1-3-4-7-12-8-5-6-10(9(2)13)11(12)14/h5-6,8H,3-4,7H2,1-2H3
InChIKeyOAGNHGZWHRHIJL-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.85
Rot. Bonds4

About 3-acetyl-1-butylpyridin-2-one

3-acetyl-1-butylpyridin-2-one (PubChem CID 82526873) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-acetyl-1-butylpyridin-2-one.

Molecular Properties

Compound Name3-acetyl-1-butylpyridin-2-one
PubChem CID82526873
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-acetyl-1-butylpyridin-2-one
SMILESCCCCn1cccc(C(C)=O)c1=O
InChIInChI=1S/C11H15NO2/c1-3-4-7-12-8-5-6-10(9(2)13)11(12)14/h5-6,8H,3-4,7H2,1-2H3
InChIKeyOAGNHGZWHRHIJL-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-butylpyridin-2-one?
The IUPAC name of 3-acetyl-1-butylpyridin-2-one (CID 82526873) is 3-acetyl-1-butylpyridin-2-one.
What is the SMILES notation for 3-acetyl-1-butylpyridin-2-one?
The canonical SMILES for 3-acetyl-1-butylpyridin-2-one is CCCCn1cccc(C(C)=O)c1=O.
What is the InChIKey of 3-acetyl-1-butylpyridin-2-one?
The InChIKey is OAGNHGZWHRHIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-4-7-12-8-5-6-10(9(2)13)11(12)14/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 3-acetyl-1-butylpyridin-2-one?
3-acetyl-1-butylpyridin-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-butylpyridin-2-one is sourced from PubChem (CID 82526873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).