2-butyl-3-hydroxy-1,6-dimethylpyridin-4-one

C11H17NO2 — CID 10035552

IUPAC2-butyl-3-hydroxy-1,6-dimethylpyridin-4-one
SMILESCCCCc1c(O)c(=O)cc(C)n1C
InChIInChI=1S/C11H17NO2/c1-4-5-6-9-11(14)10(13)7-8(2)12(9)3/h7,14H,4-6H2,1-3H3
InChIKeyZVPKELDGMFQBBU-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.74
Rot. Bonds3

About 2-butyl-3-hydroxy-1,6-dimethylpyridin-4-one

2-butyl-3-hydroxy-1,6-dimethylpyridin-4-one (PubChem CID 10035552) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-butyl-3-hydroxy-1,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name2-butyl-3-hydroxy-1,6-dimethylpyridin-4-one
PubChem CID10035552
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-butyl-3-hydroxy-1,6-dimethylpyridin-4-one
SMILESCCCCc1c(O)c(=O)cc(C)n1C
InChIInChI=1S/C11H17NO2/c1-4-5-6-9-11(14)10(13)7-8(2)12(9)3/h7,14H,4-6H2,1-3H3
InChIKeyZVPKELDGMFQBBU-UHFFFAOYSA-N
XLogP1.74
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-hydroxy-1,6-dimethylpyridin-4-one?
The IUPAC name of 2-butyl-3-hydroxy-1,6-dimethylpyridin-4-one (CID 10035552) is 2-butyl-3-hydroxy-1,6-dimethylpyridin-4-one.
What is the SMILES notation for 2-butyl-3-hydroxy-1,6-dimethylpyridin-4-one?
The canonical SMILES for 2-butyl-3-hydroxy-1,6-dimethylpyridin-4-one is CCCCc1c(O)c(=O)cc(C)n1C.
What is the InChIKey of 2-butyl-3-hydroxy-1,6-dimethylpyridin-4-one?
The InChIKey is ZVPKELDGMFQBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-5-6-9-11(14)10(13)7-8(2)12(9)3/h7,14H,4-6H2,1-3H3.
What are the key properties of 2-butyl-3-hydroxy-1,6-dimethylpyridin-4-one?
2-butyl-3-hydroxy-1,6-dimethylpyridin-4-one has a molecular weight of 195.26 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-hydroxy-1,6-dimethylpyridin-4-one is sourced from PubChem (CID 10035552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).