ethyl 2-oxo-3-propyl-1H-pyridine-4-carboxylate

C11H15NO3 — CID 151936228

IUPACethyl 2-oxo-3-propyl-1H-pyridine-4-carboxylate
SMILESCCCc1c(C(=O)OCC)cc[nH]c1=O
InChIInChI=1S/C11H15NO3/c1-3-5-8-9(11(14)15-4-2)6-7-12-10(8)13/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeySZVQYQJXNIYQEF-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.50
Rot. Bonds4

About ethyl 2-oxo-3-propyl-1H-pyridine-4-carboxylate

ethyl 2-oxo-3-propyl-1H-pyridine-4-carboxylate (PubChem CID 151936228) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is ethyl 2-oxo-3-propyl-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-3-propyl-1H-pyridine-4-carboxylate
PubChem CID151936228
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Nameethyl 2-oxo-3-propyl-1H-pyridine-4-carboxylate
SMILESCCCc1c(C(=O)OCC)cc[nH]c1=O
InChIInChI=1S/C11H15NO3/c1-3-5-8-9(11(14)15-4-2)6-7-12-10(8)13/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeySZVQYQJXNIYQEF-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-hydroxy-2-oxo-1H-pyridine-4-carboxylate
CID 54697099
ethane;ethyl 2-methyl-1H-pyrrole-3-carboxylate
CID 145287449
ethyl 2-undecyl-1H-pyrrole-3-carboxylate
CID 11449260
3-methyl-4-propanoyl-1H-pyridin-2-one
CID 10797117
ethyl 4-(iodomethyl)-1H-indole-5-carboxylate
CID 89343822
diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 754450
ethyl 6-oxo-2-propyl-1H-pyrimidine-5-carboxylate
CID 12901694
ethyl 2-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxylate
CID 133093183
ethyl 2-isothiocyanato-1H-pyrrole-3-carboxylate
CID 86643622
[2-oxo-2-(propylamino)ethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2555089
ethyl 5-formyl-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
CID 166060301
ethyl 2-[4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
CID 133093259

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-3-propyl-1H-pyridine-4-carboxylate?
The IUPAC name of ethyl 2-oxo-3-propyl-1H-pyridine-4-carboxylate (CID 151936228) is ethyl 2-oxo-3-propyl-1H-pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-oxo-3-propyl-1H-pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-oxo-3-propyl-1H-pyridine-4-carboxylate is CCCc1c(C(=O)OCC)cc[nH]c1=O.
What is the InChIKey of ethyl 2-oxo-3-propyl-1H-pyridine-4-carboxylate?
The InChIKey is SZVQYQJXNIYQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-5-8-9(11(14)15-4-2)6-7-12-10(8)13/h6-7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of ethyl 2-oxo-3-propyl-1H-pyridine-4-carboxylate?
ethyl 2-oxo-3-propyl-1H-pyridine-4-carboxylate has a molecular weight of 209.24 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-3-propyl-1H-pyridine-4-carboxylate is sourced from PubChem (CID 151936228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).