diethyl 1-ethyl-4-oxo-2,3-dihydropyridine-5,6-dicarboxylate

C13H19NO5 — CID 44825770

IUPACdiethyl 1-ethyl-4-oxo-2,3-dihydropyridine-5,6-dicarboxylate
SMILESCCOC(=O)C1=C(C(=O)OCC)N(CC)CCC1=O
InChIInChI=1S/C13H19NO5/c1-4-14-8-7-9(15)10(12(16)18-5-2)11(14)13(17)19-6-3/h4-8H2,1-3H3
InChIKeyQUTAXSLFOLFQHH-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.66
Rot. Bonds5

About diethyl 1-ethyl-4-oxo-2,3-dihydropyridine-5,6-dicarboxylate

diethyl 1-ethyl-4-oxo-2,3-dihydropyridine-5,6-dicarboxylate (PubChem CID 44825770) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is diethyl 1-ethyl-4-oxo-2,3-dihydropyridine-5,6-dicarboxylate.

Molecular Properties

Compound Namediethyl 1-ethyl-4-oxo-2,3-dihydropyridine-5,6-dicarboxylate
PubChem CID44825770
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Namediethyl 1-ethyl-4-oxo-2,3-dihydropyridine-5,6-dicarboxylate
SMILESCCOC(=O)C1=C(C(=O)OCC)N(CC)CCC1=O
InChIInChI=1S/C13H19NO5/c1-4-14-8-7-9(15)10(12(16)18-5-2)11(14)13(17)19-6-3/h4-8H2,1-3H3
InChIKeyQUTAXSLFOLFQHH-UHFFFAOYSA-N
XLogP0.66
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 1-ethyl-4-oxo-2,3-dihydropyridine-5,6-dicarboxylate?
The IUPAC name of diethyl 1-ethyl-4-oxo-2,3-dihydropyridine-5,6-dicarboxylate (CID 44825770) is diethyl 1-ethyl-4-oxo-2,3-dihydropyridine-5,6-dicarboxylate.
What is the SMILES notation for diethyl 1-ethyl-4-oxo-2,3-dihydropyridine-5,6-dicarboxylate?
The canonical SMILES for diethyl 1-ethyl-4-oxo-2,3-dihydropyridine-5,6-dicarboxylate is CCOC(=O)C1=C(C(=O)OCC)N(CC)CCC1=O.
What is the InChIKey of diethyl 1-ethyl-4-oxo-2,3-dihydropyridine-5,6-dicarboxylate?
The InChIKey is QUTAXSLFOLFQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-4-14-8-7-9(15)10(12(16)18-5-2)11(14)13(17)19-6-3/h4-8H2,1-3H3.
What are the key properties of diethyl 1-ethyl-4-oxo-2,3-dihydropyridine-5,6-dicarboxylate?
diethyl 1-ethyl-4-oxo-2,3-dihydropyridine-5,6-dicarboxylate has a molecular weight of 269.30 g/mol, XLogP of 0.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1-ethyl-4-oxo-2,3-dihydropyridine-5,6-dicarboxylate is sourced from PubChem (CID 44825770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).