1-butyl-5-ethyl-3-(hydroxymethyl)-6-propylpyridin-2-one

C15H25NO2 — CID 70951226

IUPAC1-butyl-5-ethyl-3-(hydroxymethyl)-6-propylpyridin-2-one
SMILESCCCCn1c(CCC)c(CC)cc(CO)c1=O
InChIInChI=1S/C15H25NO2/c1-4-7-9-16-14(8-5-2)12(6-3)10-13(11-17)15(16)18/h10,17H,4-9,11H2,1-3H3
InChIKeyZSGQPUYQSJRROE-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.66
Rot. Bonds7

About 1-butyl-5-ethyl-3-(hydroxymethyl)-6-propylpyridin-2-one

1-butyl-5-ethyl-3-(hydroxymethyl)-6-propylpyridin-2-one (PubChem CID 70951226) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-butyl-5-ethyl-3-(hydroxymethyl)-6-propylpyridin-2-one.

Molecular Properties

Compound Name1-butyl-5-ethyl-3-(hydroxymethyl)-6-propylpyridin-2-one
PubChem CID70951226
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-butyl-5-ethyl-3-(hydroxymethyl)-6-propylpyridin-2-one
SMILESCCCCn1c(CCC)c(CC)cc(CO)c1=O
InChIInChI=1S/C15H25NO2/c1-4-7-9-16-14(8-5-2)12(6-3)10-13(11-17)15(16)18/h10,17H,4-9,11H2,1-3H3
InChIKeyZSGQPUYQSJRROE-UHFFFAOYSA-N
XLogP2.66
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.66
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-3-(hydroxymethyl)-6-propylpyridin-2-one?
The IUPAC name of 1-butyl-5-ethyl-3-(hydroxymethyl)-6-propylpyridin-2-one (CID 70951226) is 1-butyl-5-ethyl-3-(hydroxymethyl)-6-propylpyridin-2-one.
What is the SMILES notation for 1-butyl-5-ethyl-3-(hydroxymethyl)-6-propylpyridin-2-one?
The canonical SMILES for 1-butyl-5-ethyl-3-(hydroxymethyl)-6-propylpyridin-2-one is CCCCn1c(CCC)c(CC)cc(CO)c1=O.
What is the InChIKey of 1-butyl-5-ethyl-3-(hydroxymethyl)-6-propylpyridin-2-one?
The InChIKey is ZSGQPUYQSJRROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-7-9-16-14(8-5-2)12(6-3)10-13(11-17)15(16)18/h10,17H,4-9,11H2,1-3H3.
What are the key properties of 1-butyl-5-ethyl-3-(hydroxymethyl)-6-propylpyridin-2-one?
1-butyl-5-ethyl-3-(hydroxymethyl)-6-propylpyridin-2-one has a molecular weight of 251.37 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-ethyl-3-(hydroxymethyl)-6-propylpyridin-2-one is sourced from PubChem (CID 70951226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).