diethyl 2-ethoxy-5-oxo-1-prop-2-enylpyrrolidine-3,3-dicarboxylate

C15H23NO6 — CID 135019100

IUPACdiethyl 2-ethoxy-5-oxo-1-prop-2-enylpyrrolidine-3,3-dicarboxylate
SMILESC=CCN1C(=O)CC(C(=O)OCC)(C(=O)OCC)C1OCC
InChIInChI=1S/C15H23NO6/c1-5-9-16-11(17)10-15(12(16)20-6-2,13(18)21-7-3)14(19)22-8-4/h5,12H,1,6-10H2,2-4H3
InChIKeyPWPPPTMOSPGKBD-UHFFFAOYSA-N
MW313.35 g/mol
LogP0.88
Rot. Bonds8

About diethyl 2-ethoxy-5-oxo-1-prop-2-enylpyrrolidine-3,3-dicarboxylate

diethyl 2-ethoxy-5-oxo-1-prop-2-enylpyrrolidine-3,3-dicarboxylate (PubChem CID 135019100) has the molecular formula C15H23NO6 and a molecular weight of 313.35 g/mol. Its IUPAC name is diethyl 2-ethoxy-5-oxo-1-prop-2-enylpyrrolidine-3,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-ethoxy-5-oxo-1-prop-2-enylpyrrolidine-3,3-dicarboxylate
PubChem CID135019100
Molecular FormulaC15H23NO6
Molecular Weight313.35 g/mol
Exact Mass313.15
IUPAC Namediethyl 2-ethoxy-5-oxo-1-prop-2-enylpyrrolidine-3,3-dicarboxylate
SMILESC=CCN1C(=O)CC(C(=O)OCC)(C(=O)OCC)C1OCC
InChIInChI=1S/C15H23NO6/c1-5-9-16-11(17)10-15(12(16)20-6-2,13(18)21-7-3)14(19)22-8-4/h5,12H,1,6-10H2,2-4H3
InChIKeyPWPPPTMOSPGKBD-UHFFFAOYSA-N
XLogP0.88
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze diethyl 2-ethoxy-5-oxo-1-prop-2-enylpyrrolidine-3,3-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl 5-oxo-1,2-bis(prop-2-enyl)pyrrolidine-3,3-dicarboxylate
CID 135040675
ethyl (2S)-6-oxo-1,2-bis(prop-2-enyl)piperidine-2-carboxylate
CID 100985639
diethyl 2-fluorocyclopropane-1,1-dicarboxylate
CID 134464391
ethyl 1-prop-2-enylcyclopropane-1-carboxylate
CID 12619317
[(2R,3S)-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate
CID 101115559
diethyl (2R)-2-ethenyl-3-propan-2-ylidenecyclopentane-1,1-dicarboxylate
CID 11630536
diethyl 4-methyl-5-oxooxolane-3,3-dicarboxylate
CID 131888286
diethyl 2-(bromomethyl)cyclopropane-1,1-dicarboxylate
CID 12740750
diethyl 2-propylcyclopropane-1,1-dicarboxylate
CID 14811904
ethyl (2S)-1-amino-2-ethenylcyclopropane-1-carboxylate;hydrochloride
CID 69120014
ethyl 3-methyl-2-oxo-1-prop-2-enylcyclopentane-1-carboxylate
CID 11769750
ethyl 2-(1-tert-butyl-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl)acetate
CID 44613953

Frequently Asked Questions

What is the IUPAC name of diethyl 2-ethoxy-5-oxo-1-prop-2-enylpyrrolidine-3,3-dicarboxylate?
The IUPAC name of diethyl 2-ethoxy-5-oxo-1-prop-2-enylpyrrolidine-3,3-dicarboxylate (CID 135019100) is diethyl 2-ethoxy-5-oxo-1-prop-2-enylpyrrolidine-3,3-dicarboxylate.
What is the SMILES notation for diethyl 2-ethoxy-5-oxo-1-prop-2-enylpyrrolidine-3,3-dicarboxylate?
The canonical SMILES for diethyl 2-ethoxy-5-oxo-1-prop-2-enylpyrrolidine-3,3-dicarboxylate is C=CCN1C(=O)CC(C(=O)OCC)(C(=O)OCC)C1OCC.
What is the InChIKey of diethyl 2-ethoxy-5-oxo-1-prop-2-enylpyrrolidine-3,3-dicarboxylate?
The InChIKey is PWPPPTMOSPGKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO6/c1-5-9-16-11(17)10-15(12(16)20-6-2,13(18)21-7-3)14(19)22-8-4/h5,12H,1,6-10H2,2-4H3.
What are the key properties of diethyl 2-ethoxy-5-oxo-1-prop-2-enylpyrrolidine-3,3-dicarboxylate?
diethyl 2-ethoxy-5-oxo-1-prop-2-enylpyrrolidine-3,3-dicarboxylate has a molecular weight of 313.35 g/mol, XLogP of 0.88, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-ethoxy-5-oxo-1-prop-2-enylpyrrolidine-3,3-dicarboxylate is sourced from PubChem (CID 135019100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).