3-butyl-4-hydroxy-6-methyl-1H-pyridin-2-one

C10H15NO2 — CID 54683140

IUPAC3-butyl-4-hydroxy-6-methyl-1H-pyridin-2-one
SMILESCCCCc1c(O)cc(C)[nH]c1=O
InChIInChI=1S/C10H15NO2/c1-3-4-5-8-9(12)6-7(2)11-10(8)13/h6H,3-5H2,1-2H3,(H2,11,12,13)
InChIKeyYESBFODHRKRYPI-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.73
Rot. Bonds3

About 3-butyl-4-hydroxy-6-methyl-1H-pyridin-2-one

3-butyl-4-hydroxy-6-methyl-1H-pyridin-2-one (PubChem CID 54683140) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-butyl-4-hydroxy-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-butyl-4-hydroxy-6-methyl-1H-pyridin-2-one
PubChem CID54683140
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-butyl-4-hydroxy-6-methyl-1H-pyridin-2-one
SMILESCCCCc1c(O)cc(C)[nH]c1=O
InChIInChI=1S/C10H15NO2/c1-3-4-5-8-9(12)6-7(2)11-10(8)13/h6H,3-5H2,1-2H3,(H2,11,12,13)
InChIKeyYESBFODHRKRYPI-UHFFFAOYSA-N
XLogP1.73
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-hydroxy-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-butyl-4-hydroxy-6-methyl-1H-pyridin-2-one (CID 54683140) is 3-butyl-4-hydroxy-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-butyl-4-hydroxy-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-butyl-4-hydroxy-6-methyl-1H-pyridin-2-one is CCCCc1c(O)cc(C)[nH]c1=O.
What is the InChIKey of 3-butyl-4-hydroxy-6-methyl-1H-pyridin-2-one?
The InChIKey is YESBFODHRKRYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-4-5-8-9(12)6-7(2)11-10(8)13/h6H,3-5H2,1-2H3,(H2,11,12,13).
What are the key properties of 3-butyl-4-hydroxy-6-methyl-1H-pyridin-2-one?
3-butyl-4-hydroxy-6-methyl-1H-pyridin-2-one has a molecular weight of 181.23 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-hydroxy-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 54683140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).