1-butyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one

C12H19NO2 — CID 20541688

IUPAC1-butyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one
SMILESCCCCn1c(O)c(CC)c(C)cc1=O
InChIInChI=1S/C12H19NO2/c1-4-6-7-13-11(14)8-9(3)10(5-2)12(13)15/h8,15H,4-7H2,1-3H3
InChIKeyOXPJBRQUDWTCGY-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.22
Rot. Bonds4

About 1-butyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one

1-butyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one (PubChem CID 20541688) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-butyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-butyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one
PubChem CID20541688
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-butyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one
SMILESCCCCn1c(O)c(CC)c(C)cc1=O
InChIInChI=1S/C12H19NO2/c1-4-6-7-13-11(14)8-9(3)10(5-2)12(13)15/h8,15H,4-7H2,1-3H3
InChIKeyOXPJBRQUDWTCGY-UHFFFAOYSA-N
XLogP2.22
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one?
The IUPAC name of 1-butyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one (CID 20541688) is 1-butyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one.
What is the SMILES notation for 1-butyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one?
The canonical SMILES for 1-butyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one is CCCCn1c(O)c(CC)c(C)cc1=O.
What is the InChIKey of 1-butyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one?
The InChIKey is OXPJBRQUDWTCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-6-7-13-11(14)8-9(3)10(5-2)12(13)15/h8,15H,4-7H2,1-3H3.
What are the key properties of 1-butyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one?
1-butyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one has a molecular weight of 209.29 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one is sourced from PubChem (CID 20541688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).