1-butyl-4-hydroxypyridin-2-one

C9H13NO2 — CID 59497076

IUPAC1-butyl-4-hydroxypyridin-2-one
SMILESCCCCn1ccc(O)cc1=O
InChIInChI=1S/C9H13NO2/c1-2-3-5-10-6-4-8(11)7-9(10)12/h4,6-7,11H,2-3,5H2,1H3
InChIKeyUCYJRKIDTPNFGP-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.35
Rot. Bonds3

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

1-butyl-4-hydroxypyridin-2-one (PubChem CID 59497076) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-butyl-4-hydroxypyridin-2-one.

Molecular Properties

Compound Name1-butyl-4-hydroxypyridin-2-one
PubChem CID59497076
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-butyl-4-hydroxypyridin-2-one
SMILESCCCCn1ccc(O)cc1=O
InChIInChI=1S/C9H13NO2/c1-2-3-5-10-6-4-8(11)7-9(10)12/h4,6-7,11H,2-3,5H2,1H3
InChIKeyUCYJRKIDTPNFGP-UHFFFAOYSA-N
XLogP1.35
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-hydroxypyridin-2-one?
The IUPAC name of 1-butyl-4-hydroxypyridin-2-one (CID 59497076) is 1-butyl-4-hydroxypyridin-2-one.
What is the SMILES notation for 1-butyl-4-hydroxypyridin-2-one?
The canonical SMILES for 1-butyl-4-hydroxypyridin-2-one is CCCCn1ccc(O)cc1=O.
What is the InChIKey of 1-butyl-4-hydroxypyridin-2-one?
The InChIKey is UCYJRKIDTPNFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-3-5-10-6-4-8(11)7-9(10)12/h4,6-7,11H,2-3,5H2,1H3.
What are the key properties of 1-butyl-4-hydroxypyridin-2-one?
1-butyl-4-hydroxypyridin-2-one has a molecular weight of 167.21 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-hydroxypyridin-2-one is sourced from PubChem (CID 59497076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).