5-acetyl-6-butyl-3H-pyridin-2-one

C11H15NO2 — CID 67860021

IUPAC5-acetyl-6-butyl-3H-pyridin-2-one
SMILESCCCCC1=NC(=O)CC=C1C(C)=O
InChIInChI=1S/C11H15NO2/c1-3-4-5-10-9(8(2)13)6-7-11(14)12-10/h6H,3-5,7H2,1-2H3
InChIKeyTWMGFROQCDBOLU-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.06
Rot. Bonds4

About 5-acetyl-6-butyl-3H-pyridin-2-one

5-acetyl-6-butyl-3H-pyridin-2-one (PubChem CID 67860021) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-acetyl-6-butyl-3H-pyridin-2-one.

Molecular Properties

Compound Name5-acetyl-6-butyl-3H-pyridin-2-one
PubChem CID67860021
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name5-acetyl-6-butyl-3H-pyridin-2-one
SMILESCCCCC1=NC(=O)CC=C1C(C)=O
InChIInChI=1S/C11H15NO2/c1-3-4-5-10-9(8(2)13)6-7-11(14)12-10/h6H,3-5,7H2,1-2H3
InChIKeyTWMGFROQCDBOLU-UHFFFAOYSA-N
XLogP2.06
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-butyl-3H-pyridin-2-one?
The IUPAC name of 5-acetyl-6-butyl-3H-pyridin-2-one (CID 67860021) is 5-acetyl-6-butyl-3H-pyridin-2-one.
What is the SMILES notation for 5-acetyl-6-butyl-3H-pyridin-2-one?
The canonical SMILES for 5-acetyl-6-butyl-3H-pyridin-2-one is CCCCC1=NC(=O)CC=C1C(C)=O.
What is the InChIKey of 5-acetyl-6-butyl-3H-pyridin-2-one?
The InChIKey is TWMGFROQCDBOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-4-5-10-9(8(2)13)6-7-11(14)12-10/h6H,3-5,7H2,1-2H3.
What are the key properties of 5-acetyl-6-butyl-3H-pyridin-2-one?
5-acetyl-6-butyl-3H-pyridin-2-one has a molecular weight of 193.25 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-butyl-3H-pyridin-2-one is sourced from PubChem (CID 67860021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).