3-acetyl-1-ethyl-6-(2-propoxyphenyl)pyridin-2-one

C18H21NO3 — CID 82518736

IUPAC3-acetyl-1-ethyl-6-(2-propoxyphenyl)pyridin-2-one
SMILESCCCOc1ccccc1-c1ccc(C(C)=O)c(=O)n1CC
InChIInChI=1S/C18H21NO3/c1-4-12-22-17-9-7-6-8-15(17)16-11-10-14(13(3)20)18(21)19(16)5-2/h6-11H,4-5,12H2,1-3H3
InChIKeyRMIOOGQPHVNXAS-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.53
Rot. Bonds6

About 3-acetyl-1-ethyl-6-(2-propoxyphenyl)pyridin-2-one

3-acetyl-1-ethyl-6-(2-propoxyphenyl)pyridin-2-one (PubChem CID 82518736) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-acetyl-1-ethyl-6-(2-propoxyphenyl)pyridin-2-one.

Molecular Properties

Compound Name3-acetyl-1-ethyl-6-(2-propoxyphenyl)pyridin-2-one
PubChem CID82518736
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3-acetyl-1-ethyl-6-(2-propoxyphenyl)pyridin-2-one
SMILESCCCOc1ccccc1-c1ccc(C(C)=O)c(=O)n1CC
InChIInChI=1S/C18H21NO3/c1-4-12-22-17-9-7-6-8-15(17)16-11-10-14(13(3)20)18(21)19(16)5-2/h6-11H,4-5,12H2,1-3H3
InChIKeyRMIOOGQPHVNXAS-UHFFFAOYSA-N
XLogP3.53
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid
CID 82099895
1-ethyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carboxylic acid
CID 82517790
6-(2-ethoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid
CID 82518873
3-(chloromethyl)-1-methyl-6-(2-propoxyphenyl)pyridin-2-one
CID 82518755
6-(2-methoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid
CID 82099893
3-acetyl-1-ethyl-6-(4-methoxy-3-methylphenyl)pyridin-2-one
CID 82517327
2-(2-ethoxyphenyl)-1-ethyl-5-methylpyrrole
CID 82081579
3-acetyl-6-(3,4-dimethylphenyl)-1-ethylpyridin-2-one
CID 82520107
1-(2,3,4-tripropoxyphenyl)ethanone
CID 93191480
1-[4-bromo-2-(2-propoxyphenoxy)phenyl]ethanone
CID 82956146
2-[4-(2-acetylphenoxy)butyl]isoindole-1,3-dione
CID 112788844
carbonic acid;propyl 2-propoxybenzoate
CID 69345278

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-ethyl-6-(2-propoxyphenyl)pyridin-2-one?
The IUPAC name of 3-acetyl-1-ethyl-6-(2-propoxyphenyl)pyridin-2-one (CID 82518736) is 3-acetyl-1-ethyl-6-(2-propoxyphenyl)pyridin-2-one.
What is the SMILES notation for 3-acetyl-1-ethyl-6-(2-propoxyphenyl)pyridin-2-one?
The canonical SMILES for 3-acetyl-1-ethyl-6-(2-propoxyphenyl)pyridin-2-one is CCCOc1ccccc1-c1ccc(C(C)=O)c(=O)n1CC.
What is the InChIKey of 3-acetyl-1-ethyl-6-(2-propoxyphenyl)pyridin-2-one?
The InChIKey is RMIOOGQPHVNXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-4-12-22-17-9-7-6-8-15(17)16-11-10-14(13(3)20)18(21)19(16)5-2/h6-11H,4-5,12H2,1-3H3.
What are the key properties of 3-acetyl-1-ethyl-6-(2-propoxyphenyl)pyridin-2-one?
3-acetyl-1-ethyl-6-(2-propoxyphenyl)pyridin-2-one has a molecular weight of 299.37 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-ethyl-6-(2-propoxyphenyl)pyridin-2-one is sourced from PubChem (CID 82518736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).