5-acetyl-3-ethoxy-1-ethylpyridin-2-one

C11H15NO3 — CID 155595683

IUPAC5-acetyl-3-ethoxy-1-ethylpyridin-2-one
SMILESCCOc1cc(C(C)=O)cn(CC)c1=O
InChIInChI=1S/C11H15NO3/c1-4-12-7-9(8(3)13)6-10(11(12)14)15-5-2/h6-7H,4-5H2,1-3H3
InChIKeyRXIGTKJADNRIOV-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.47
Rot. Bonds4

About 5-acetyl-3-ethoxy-1-ethylpyridin-2-one

5-acetyl-3-ethoxy-1-ethylpyridin-2-one (PubChem CID 155595683) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 5-acetyl-3-ethoxy-1-ethylpyridin-2-one.

Molecular Properties

Compound Name5-acetyl-3-ethoxy-1-ethylpyridin-2-one
PubChem CID155595683
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name5-acetyl-3-ethoxy-1-ethylpyridin-2-one
SMILESCCOc1cc(C(C)=O)cn(CC)c1=O
InChIInChI=1S/C11H15NO3/c1-4-12-7-9(8(3)13)6-10(11(12)14)15-5-2/h6-7H,4-5H2,1-3H3
InChIKeyRXIGTKJADNRIOV-UHFFFAOYSA-N
XLogP1.47
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetyl-3,5-diethoxyphenyl)ethanone
CID 155595563
1-[3-ethoxy-5-methyl-4-(trifluoromethyl)phenyl]ethanone
CID 171017057
4-acetyl-2-ethoxypyrrole-1-carbaldehyde
CID 174376102
1-[3,5-diethoxy-4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]ethanone
CID 155595614
ethyl 5-acetyloxy-1-ethylpyrrole-3-carboxylate
CID 121224080
1-(3-bromo-5-ethoxy-4-fluorophenyl)ethanone
CID 171000856
N-(5-acetyl-2-ethoxyphenyl)-2,2,2-trifluoroacetamide
CID 82156351
1-[4-ethoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]ethanone
CID 60724560
4-acetyl-2-bromo-6-ethoxybenzaldehyde
CID 171001177
4-acetyl-2-ethoxy-6-iodobenzaldehyde
CID 171025015
6-acetyloxy-7-ethoxy-1-ethyl-4-oxoquinoline-3-carboxylic acid
CID 12873148
1-[4-bromo-3-(difluoromethyl)-5-ethoxyphenyl]ethanone
CID 171001045

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-ethoxy-1-ethylpyridin-2-one?
The IUPAC name of 5-acetyl-3-ethoxy-1-ethylpyridin-2-one (CID 155595683) is 5-acetyl-3-ethoxy-1-ethylpyridin-2-one.
What is the SMILES notation for 5-acetyl-3-ethoxy-1-ethylpyridin-2-one?
The canonical SMILES for 5-acetyl-3-ethoxy-1-ethylpyridin-2-one is CCOc1cc(C(C)=O)cn(CC)c1=O.
What is the InChIKey of 5-acetyl-3-ethoxy-1-ethylpyridin-2-one?
The InChIKey is RXIGTKJADNRIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-4-12-7-9(8(3)13)6-10(11(12)14)15-5-2/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-acetyl-3-ethoxy-1-ethylpyridin-2-one?
5-acetyl-3-ethoxy-1-ethylpyridin-2-one has a molecular weight of 209.24 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-ethoxy-1-ethylpyridin-2-one is sourced from PubChem (CID 155595683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).