3-butoxy-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one

C13H21NO3 — CID 90068928

IUPAC3-butoxy-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one
SMILESCCCCOc1c(CC)n(CCO)ccc1=O
InChIInChI=1S/C13H21NO3/c1-3-5-10-17-13-11(4-2)14(8-9-15)7-6-12(13)16/h6-7,15H,3-5,8-10H2,1-2H3
InChIKeyCFXAZCOQFDBTTG-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.58
Rot. Bonds7

About 3-butoxy-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one

3-butoxy-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one (PubChem CID 90068928) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 3-butoxy-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one.

Molecular Properties

Compound Name3-butoxy-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one
PubChem CID90068928
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3-butoxy-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one
SMILESCCCCOc1c(CC)n(CCO)ccc1=O
InChIInChI=1S/C13H21NO3/c1-3-5-10-17-13-11(4-2)14(8-9-15)7-6-12(13)16/h6-7,15H,3-5,8-10H2,1-2H3
InChIKeyCFXAZCOQFDBTTG-UHFFFAOYSA-N
XLogP1.58
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2,5-dibromophenyl)methoxy]-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one
CID 166335641
3-[(1,2-diethyl-4-oxo-3-pyridinyl)oxy]propanoic acid
CID 10243320
3-butoxy-1-(2,3-dihydroxypropyl)-4-oxopyridine-2-carboxamide
CID 71030988
1-(3-ethoxypropyl)-2-ethyl-3-hydroxypyridin-4-one
CID 14956307
2-ethyl-1-(2-fluoroethyl)-3-phenylmethoxypyridin-4-one
CID 118407952
2-ethyl-1-(2-fluoroethyl)-3-hydroxypyridin-4-one
CID 118534403
3-heptoxy-1-(2-hydroxyethyl)pyridin-2-one
CID 82150733
3-butoxy-1-methyl-2-oxopyridine-4-carbonyl chloride
CID 90075769
1-(2-hydroxyethyl)-2-methyl-3-phenylmethoxypyridin-4-one;3-hydroxy-1-(2-hydroxyethyl)-2-methylpyridin-4-one
CID 158779776
1-(2,3-dihydroxypropyl)-2-ethyl-3-hydroxypyridin-4-one
CID 20688190
3-[bis[(1-butyl-2-methyl-4-oxo-3-pyridinyl)oxy]indiganyloxy]-1-butyl-2-methylpyridin-4-one
CID 16687179
3-hydroxy-1-(2-hydroxyethyl)-2-[(4-hydroxyphenyl)methyl]pyridin-4-one
CID 140976769

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one?
The IUPAC name of 3-butoxy-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one (CID 90068928) is 3-butoxy-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one.
What is the SMILES notation for 3-butoxy-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one?
The canonical SMILES for 3-butoxy-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one is CCCCOc1c(CC)n(CCO)ccc1=O.
What is the InChIKey of 3-butoxy-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one?
The InChIKey is CFXAZCOQFDBTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-3-5-10-17-13-11(4-2)14(8-9-15)7-6-12(13)16/h6-7,15H,3-5,8-10H2,1-2H3.
What are the key properties of 3-butoxy-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one?
3-butoxy-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one has a molecular weight of 239.31 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one is sourced from PubChem (CID 90068928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).