ethyl 2,4-dioxo-1-propylpyrrolidine-3-carboxylate

C10H15NO4 — CID 14074904

IUPACethyl 2,4-dioxo-1-propylpyrrolidine-3-carboxylate
SMILESCCCN1CC(=O)C(C(=O)OCC)C1=O
InChIInChI=1S/C10H15NO4/c1-3-5-11-6-7(12)8(9(11)13)10(14)15-4-2/h8H,3-6H2,1-2H3
InChIKeyWIBWAWQZYFHTAU-UHFFFAOYSA-N
MW213.23 g/mol
LogP-0.01
Rot. Bonds4

About ethyl 2,4-dioxo-1-propylpyrrolidine-3-carboxylate

ethyl 2,4-dioxo-1-propylpyrrolidine-3-carboxylate (PubChem CID 14074904) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is ethyl 2,4-dioxo-1-propylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dioxo-1-propylpyrrolidine-3-carboxylate
PubChem CID14074904
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Nameethyl 2,4-dioxo-1-propylpyrrolidine-3-carboxylate
SMILESCCCN1CC(=O)C(C(=O)OCC)C1=O
InChIInChI=1S/C10H15NO4/c1-3-5-11-6-7(12)8(9(11)13)10(14)15-4-2/h8H,3-6H2,1-2H3
InChIKeyWIBWAWQZYFHTAU-UHFFFAOYSA-N
XLogP-0.01
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dioxo-1-propylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl 2,4-dioxo-1-propylpyrrolidine-3-carboxylate (CID 14074904) is ethyl 2,4-dioxo-1-propylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 2,4-dioxo-1-propylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 2,4-dioxo-1-propylpyrrolidine-3-carboxylate is CCCN1CC(=O)C(C(=O)OCC)C1=O.
What is the InChIKey of ethyl 2,4-dioxo-1-propylpyrrolidine-3-carboxylate?
The InChIKey is WIBWAWQZYFHTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-3-5-11-6-7(12)8(9(11)13)10(14)15-4-2/h8H,3-6H2,1-2H3.
What are the key properties of ethyl 2,4-dioxo-1-propylpyrrolidine-3-carboxylate?
ethyl 2,4-dioxo-1-propylpyrrolidine-3-carboxylate has a molecular weight of 213.23 g/mol, XLogP of -0.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dioxo-1-propylpyrrolidine-3-carboxylate is sourced from PubChem (CID 14074904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).