ethyl 3-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoate

C11H15NO3 — CID 58753933

IUPACethyl 3-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoate
SMILESCCOC(=O)CCc1c[nH]c(=O)cc1C
InChIInChI=1S/C11H15NO3/c1-3-15-11(14)5-4-9-7-12-10(13)6-8(9)2/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyWWPOLDRWQWFAHH-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.18
Rot. Bonds4

About ethyl 3-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoate

ethyl 3-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoate (PubChem CID 58753933) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is ethyl 3-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoate
PubChem CID58753933
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Nameethyl 3-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoate
SMILESCCOC(=O)CCc1c[nH]c(=O)cc1C
InChIInChI=1S/C11H15NO3/c1-3-15-11(14)5-4-9-7-12-10(13)6-8(9)2/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyWWPOLDRWQWFAHH-UHFFFAOYSA-N
XLogP1.18
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(4-hydroxy-2,5-dimethylphenyl)propanoate
CID 58566683
ethyl 3-(4-chloro-2,5-dimethylphenyl)propanoate
CID 91605979
ethyl 3-(4-bromo-2-methylphenyl)propanoate
CID 124705554
ethyl 3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanoate
CID 46914009
5-(chloromethyl)-4-methyl-1H-pyridin-2-one
CID 102545705
ethyl 3-(2,4,5-trimethoxyphenyl)propanoate
CID 66702332
ethyl 3-[4-(2-aminoethoxy)-2-methylphenyl]propanoate
CID 164576670
ethyl 3-[4-bromo-2-(bromomethyl)phenyl]propanoate
CID 131473835
4-methyl-5-(methylaminomethyl)-1H-pyridin-2-one
CID 102545713
ethyl 3-(3-ethoxy-3-oxopropyl)-4-sulfanylbenzoate
CID 134641119
ethyl 4-oxo-5-(2,4,5-trimethylphenyl)pentanoate
CID 64990371
ethyl 3-(5-amino-2-hydroxyphenyl)propanoate
CID 3847295

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoate?
The IUPAC name of ethyl 3-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoate (CID 58753933) is ethyl 3-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoate.
What is the SMILES notation for ethyl 3-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoate?
The canonical SMILES for ethyl 3-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoate is CCOC(=O)CCc1c[nH]c(=O)cc1C.
What is the InChIKey of ethyl 3-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoate?
The InChIKey is WWPOLDRWQWFAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-15-11(14)5-4-9-7-12-10(13)6-8(9)2/h6-7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of ethyl 3-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoate?
ethyl 3-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoate has a molecular weight of 209.24 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoate is sourced from PubChem (CID 58753933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).