(2,5-dioxopyrrolidin-3-yl) acetate

C6H7NO4 — CID 10866587

IUPAC(2,5-dioxopyrrolidin-3-yl) acetate
SMILESCC(=O)OC1CC(=O)NC1=O
InChIInChI=1S/C6H7NO4/c1-3(8)11-4-2-5(9)7-6(4)10/h4H,2H2,1H3,(H,7,9,10)
InChIKeyKRXMGHKXMIMNNT-UHFFFAOYSA-N
MW157.12 g/mol
LogP-1.04
Rot. Bonds1

About (2,5-dioxopyrrolidin-3-yl) acetate

(2,5-dioxopyrrolidin-3-yl) acetate (PubChem CID 10866587) has the molecular formula C6H7NO4 and a molecular weight of 157.12 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-3-yl) acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-3-yl) acetate
PubChem CID10866587
Molecular FormulaC6H7NO4
Molecular Weight157.12 g/mol
Exact Mass157.04
IUPAC Name(2,5-dioxopyrrolidin-3-yl) acetate
SMILESCC(=O)OC1CC(=O)NC1=O
InChIInChI=1S/C6H7NO4/c1-3(8)11-4-2-5(9)7-6(4)10/h4H,2H2,1H3,(H,7,9,10)
InChIKeyKRXMGHKXMIMNNT-UHFFFAOYSA-N
XLogP-1.04
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-3-yl) acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-3-yl) acetate?
The IUPAC name of (2,5-dioxopyrrolidin-3-yl) acetate (CID 10866587) is (2,5-dioxopyrrolidin-3-yl) acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-3-yl) acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-3-yl) acetate is CC(=O)OC1CC(=O)NC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-3-yl) acetate?
The InChIKey is KRXMGHKXMIMNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4/c1-3(8)11-4-2-5(9)7-6(4)10/h4H,2H2,1H3,(H,7,9,10).
What are the key properties of (2,5-dioxopyrrolidin-3-yl) acetate?
(2,5-dioxopyrrolidin-3-yl) acetate has a molecular weight of 157.12 g/mol, XLogP of -1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-3-yl) acetate is sourced from PubChem (CID 10866587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).