ethyl 5-ethenyl-2-oxo-1H-pyridine-3-carboxylate

C10H11NO3 — CID 22897227

IUPACethyl 5-ethenyl-2-oxo-1H-pyridine-3-carboxylate
SMILESC=Cc1c[nH]c(=O)c(C(=O)OCC)c1
InChIInChI=1S/C10H11NO3/c1-3-7-5-8(9(12)11-6-7)10(13)14-4-2/h3,5-6H,1,4H2,2H3,(H,11,12)
InChIKeyQLPKTHKQWSXYSZ-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.19
Rot. Bonds3

About ethyl 5-ethenyl-2-oxo-1H-pyridine-3-carboxylate

ethyl 5-ethenyl-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 22897227) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is ethyl 5-ethenyl-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethenyl-2-oxo-1H-pyridine-3-carboxylate
PubChem CID22897227
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Nameethyl 5-ethenyl-2-oxo-1H-pyridine-3-carboxylate
SMILESC=Cc1c[nH]c(=O)c(C(=O)OCC)c1
InChIInChI=1S/C10H11NO3/c1-3-7-5-8(9(12)11-6-7)10(13)14-4-2/h3,5-6H,1,4H2,2H3,(H,11,12)
InChIKeyQLPKTHKQWSXYSZ-UHFFFAOYSA-N
XLogP1.19
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-ethenyl-2-methoxybenzoate
CID 172649040
diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 754450
ethyl 3-(5-amino-6-oxo-1H-pyridin-3-yl)prop-2-enoate
CID 169480123
ethyl 5-fluoro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 57360922
ethyl 2-(2,5-dimethylpyrrol-1-yl)-4-ethenylbenzoate
CID 90154758
ethyl 5-(2,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 133093124
ethyl 5-methoxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 69225135
ethyl 4-ethenyl-3,5-dihydroxybenzoate
CID 102254331
ethyl 5-methyl-4-oxo-1H-pyridine-3-carboxylate
CID 824655
ethyl 3-hydroxy-2-oxo-1H-pyridine-4-carboxylate
CID 54697099
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
diethyl 2-oxo-6-piperidin-1-yl-1H-pyridine-3,5-dicarboxylate
CID 3810203

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethenyl-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-ethenyl-2-oxo-1H-pyridine-3-carboxylate (CID 22897227) is ethyl 5-ethenyl-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-ethenyl-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-ethenyl-2-oxo-1H-pyridine-3-carboxylate is C=Cc1c[nH]c(=O)c(C(=O)OCC)c1.
What is the InChIKey of ethyl 5-ethenyl-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is QLPKTHKQWSXYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-3-7-5-8(9(12)11-6-7)10(13)14-4-2/h3,5-6H,1,4H2,2H3,(H,11,12).
What are the key properties of ethyl 5-ethenyl-2-oxo-1H-pyridine-3-carboxylate?
ethyl 5-ethenyl-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 193.20 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethenyl-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 22897227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).