1-O-ethyl 5-O-methyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate

C10H15NO4 — CID 10680085

IUPAC1-O-ethyl 5-O-methyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate
SMILESCCOC(=O)N1CCC=C(C(=O)OC)C1
InChIInChI=1S/C10H15NO4/c1-3-15-10(13)11-6-4-5-8(7-11)9(12)14-2/h5H,3-4,6-7H2,1-2H3
InChIKeyOZCUQZUMOUQYNG-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.95
Rot. Bonds2

About 1-O-ethyl 5-O-methyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate

1-O-ethyl 5-O-methyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate (PubChem CID 10680085) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-O-ethyl 5-O-methyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate.

Molecular Properties

Compound Name1-O-ethyl 5-O-methyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate
PubChem CID10680085
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-O-ethyl 5-O-methyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate
SMILESCCOC(=O)N1CCC=C(C(=O)OC)C1
InChIInChI=1S/C10H15NO4/c1-3-15-10(13)11-6-4-5-8(7-11)9(12)14-2/h5H,3-4,6-7H2,1-2H3
InChIKeyOZCUQZUMOUQYNG-UHFFFAOYSA-N
XLogP0.95
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-O-ethyl 5-O-methyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate?
The IUPAC name of 1-O-ethyl 5-O-methyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate (CID 10680085) is 1-O-ethyl 5-O-methyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate.
What is the SMILES notation for 1-O-ethyl 5-O-methyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate?
The canonical SMILES for 1-O-ethyl 5-O-methyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate is CCOC(=O)N1CCC=C(C(=O)OC)C1.
What is the InChIKey of 1-O-ethyl 5-O-methyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate?
The InChIKey is OZCUQZUMOUQYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-3-15-10(13)11-6-4-5-8(7-11)9(12)14-2/h5H,3-4,6-7H2,1-2H3.
What are the key properties of 1-O-ethyl 5-O-methyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate?
1-O-ethyl 5-O-methyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate has a molecular weight of 213.23 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 5-O-methyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate is sourced from PubChem (CID 10680085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).