diethyl 3-oxopyrrolidine-1,2-dicarboxylate

C10H15NO5 — CID 15618374

IUPACdiethyl 3-oxopyrrolidine-1,2-dicarboxylate
SMILESCCOC(=O)C1C(=O)CCN1C(=O)OCC
InChIInChI=1S/C10H15NO5/c1-3-15-9(13)8-7(12)5-6-11(8)10(14)16-4-2/h8H,3-6H2,1-2H3
InChIKeyIACAXSZOHKECCP-UHFFFAOYSA-N
MW229.23 g/mol
LogP0.35
Rot. Bonds3

About diethyl 3-oxopyrrolidine-1,2-dicarboxylate

diethyl 3-oxopyrrolidine-1,2-dicarboxylate (PubChem CID 15618374) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is diethyl 3-oxopyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-oxopyrrolidine-1,2-dicarboxylate
PubChem CID15618374
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Namediethyl 3-oxopyrrolidine-1,2-dicarboxylate
SMILESCCOC(=O)C1C(=O)CCN1C(=O)OCC
InChIInChI=1S/C10H15NO5/c1-3-15-9(13)8-7(12)5-6-11(8)10(14)16-4-2/h8H,3-6H2,1-2H3
InChIKeyIACAXSZOHKECCP-UHFFFAOYSA-N
XLogP0.35
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

bis(3,3-dimethylbutyl) 3-oxopyrrolidine-1,2-dicarboxylate
CID 174207882
ethyl 3,7-dioxo-1,2,5,6,8,8a-hexahydroindolizine-8-carboxylate
CID 13179720
1-O-tert-butyl 2-O-ethyl 4-oxopiperidine-1,2-dicarboxylate
CID 15928262
cis-ethyl (1S,2R)-2-methyl-5-oxocyclopentane-1-carboxylate
CID 15253094
ethyl 2-oxo-1,3,5,6,7,8-hexahydropyrrolizine-3-carboxylate
CID 130432586
ethyl 2,4-dioxocyclohexane-1-carboxylate
CID 14961841
ethyl 1-methyl-4-oxopiperidine-3-carboxylate chloride
CID 53313902
diethyl (4R)-3-oxopiperidine-1,4-dicarboxylate
CID 92950874
1-O-benzyl 2-O-tert-butyl 3-oxopyrrolidine-1,2-dicarboxylate
CID 118865465
ethyl 1-tert-butyl-2,4-dioxopiperidine-3-carboxylate
CID 154637444
ethyl 1-(4-oxocyclohexyl)piperidine-4-carboxylate
CID 169225994
ethyl (3S)-3-methyl-4-oxopiperidine-1-carboxylate
CID 34180905

Frequently Asked Questions

What is the IUPAC name of diethyl 3-oxopyrrolidine-1,2-dicarboxylate?
The IUPAC name of diethyl 3-oxopyrrolidine-1,2-dicarboxylate (CID 15618374) is diethyl 3-oxopyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for diethyl 3-oxopyrrolidine-1,2-dicarboxylate?
The canonical SMILES for diethyl 3-oxopyrrolidine-1,2-dicarboxylate is CCOC(=O)C1C(=O)CCN1C(=O)OCC.
What is the InChIKey of diethyl 3-oxopyrrolidine-1,2-dicarboxylate?
The InChIKey is IACAXSZOHKECCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-3-15-9(13)8-7(12)5-6-11(8)10(14)16-4-2/h8H,3-6H2,1-2H3.
What are the key properties of diethyl 3-oxopyrrolidine-1,2-dicarboxylate?
diethyl 3-oxopyrrolidine-1,2-dicarboxylate has a molecular weight of 229.23 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-oxopyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 15618374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).