ethyl 2-oxo-6-propyl-3,4-dihydro-1H-pyridine-5-carboxylate

C11H17NO3 — CID 71745342

IUPACethyl 2-oxo-6-propyl-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCCCC1=C(C(=O)OCC)CCC(=O)N1
InChIInChI=1S/C11H17NO3/c1-3-5-9-8(11(14)15-4-2)6-7-10(13)12-9/h3-7H2,1-2H3,(H,12,13)
InChIKeyIAMVQUBWGWBCKD-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.51
Rot. Bonds4

About ethyl 2-oxo-6-propyl-3,4-dihydro-1H-pyridine-5-carboxylate

ethyl 2-oxo-6-propyl-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 71745342) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl 2-oxo-6-propyl-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-6-propyl-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID71745342
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameethyl 2-oxo-6-propyl-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCCCC1=C(C(=O)OCC)CCC(=O)N1
InChIInChI=1S/C11H17NO3/c1-3-5-9-8(11(14)15-4-2)6-7-10(13)12-9/h3-7H2,1-2H3,(H,12,13)
InChIKeyIAMVQUBWGWBCKD-UHFFFAOYSA-N
XLogP1.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (4R)-2-oxo-4,6-dipropyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 93488806
diethyl 2,6-diethoxy-1,4-dihydropyridine-3,5-dicarboxylate
CID 66922689
ethyl (4S)-4-(4-methylphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 867966
ethyl 2-aminocyclopropene-1-carboxylate
CID 54193100
ethyl 4-(4-methylphenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 45258596
ethyl 5-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate
CID 54692116
tetraethyl 1,4-dihydropyrazine-2,3,5,6-tetracarboxylate
CID 154144676
diethyl cyclohexa-1,4-diene-1,2-dicarboxylate
CID 13042860
ethyl 4-(3,5-dichloro-2,4-dihydroxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110844164
ethyl 4-(4-tert-butylphenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 51109707
ethyl 3,5-dioxo-1,2,6,7-tetrahydroimidazo[1,5-c]pyrimidine-8-carboxylate
CID 71682289
3-O-ethyl 5-O-fluoro 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 143531548

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-6-propyl-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of ethyl 2-oxo-6-propyl-3,4-dihydro-1H-pyridine-5-carboxylate (CID 71745342) is ethyl 2-oxo-6-propyl-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl 2-oxo-6-propyl-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for ethyl 2-oxo-6-propyl-3,4-dihydro-1H-pyridine-5-carboxylate is CCCC1=C(C(=O)OCC)CCC(=O)N1.
What is the InChIKey of ethyl 2-oxo-6-propyl-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is IAMVQUBWGWBCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-5-9-8(11(14)15-4-2)6-7-10(13)12-9/h3-7H2,1-2H3,(H,12,13).
What are the key properties of ethyl 2-oxo-6-propyl-3,4-dihydro-1H-pyridine-5-carboxylate?
ethyl 2-oxo-6-propyl-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-6-propyl-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 71745342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).