1-butyl-2-ethyl-3-hydroxypyridin-4-one

C11H17NO2 — CID 14956305

IUPAC1-butyl-2-ethyl-3-hydroxypyridin-4-one
SMILESCCCCn1ccc(=O)c(O)c1CC
InChIInChI=1S/C11H17NO2/c1-3-5-7-12-8-6-10(13)11(14)9(12)4-2/h6,8,14H,3-5,7H2,1-2H3
InChIKeyHFGXACKHXDDDKW-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.92
Rot. Bonds4

About 1-butyl-2-ethyl-3-hydroxypyridin-4-one

1-butyl-2-ethyl-3-hydroxypyridin-4-one (PubChem CID 14956305) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-butyl-2-ethyl-3-hydroxypyridin-4-one.

Molecular Properties

Compound Name1-butyl-2-ethyl-3-hydroxypyridin-4-one
PubChem CID14956305
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-butyl-2-ethyl-3-hydroxypyridin-4-one
SMILESCCCCn1ccc(=O)c(O)c1CC
InChIInChI=1S/C11H17NO2/c1-3-5-7-12-8-6-10(13)11(14)9(12)4-2/h6,8,14H,3-5,7H2,1-2H3
InChIKeyHFGXACKHXDDDKW-UHFFFAOYSA-N
XLogP1.92
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-ethyl-3-hydroxypyridin-4-one?
The IUPAC name of 1-butyl-2-ethyl-3-hydroxypyridin-4-one (CID 14956305) is 1-butyl-2-ethyl-3-hydroxypyridin-4-one.
What is the SMILES notation for 1-butyl-2-ethyl-3-hydroxypyridin-4-one?
The canonical SMILES for 1-butyl-2-ethyl-3-hydroxypyridin-4-one is CCCCn1ccc(=O)c(O)c1CC.
What is the InChIKey of 1-butyl-2-ethyl-3-hydroxypyridin-4-one?
The InChIKey is HFGXACKHXDDDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-5-7-12-8-6-10(13)11(14)9(12)4-2/h6,8,14H,3-5,7H2,1-2H3.
What are the key properties of 1-butyl-2-ethyl-3-hydroxypyridin-4-one?
1-butyl-2-ethyl-3-hydroxypyridin-4-one has a molecular weight of 195.26 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-ethyl-3-hydroxypyridin-4-one is sourced from PubChem (CID 14956305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).