(2,5-dioxopyrrol-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)acetate

C10H8N2O6 — CID 87683064

IUPAC(2,5-dioxopyrrol-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)acetate
SMILESO=C(CN1C(=O)CCC1=O)ON1C(=O)C=CC1=O
InChIInChI=1S/C10H8N2O6/c13-6-1-2-7(14)11(6)5-10(17)18-12-8(15)3-4-9(12)16/h3-4H,1-2,5H2
InChIKeyNNVSUHXLQFCUFJ-UHFFFAOYSA-N
MW252.18 g/mol
LogP-1.48
Rot. Bonds3

About (2,5-dioxopyrrol-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)acetate

(2,5-dioxopyrrol-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)acetate (PubChem CID 87683064) has the molecular formula C10H8N2O6 and a molecular weight of 252.18 g/mol. Its IUPAC name is (2,5-dioxopyrrol-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrol-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)acetate
PubChem CID87683064
Molecular FormulaC10H8N2O6
Molecular Weight252.18 g/mol
Exact Mass252.04
IUPAC Name(2,5-dioxopyrrol-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)acetate
SMILESO=C(CN1C(=O)CCC1=O)ON1C(=O)C=CC1=O
InChIInChI=1S/C10H8N2O6/c13-6-1-2-7(14)11(6)5-10(17)18-12-8(15)3-4-9(12)16/h3-4H,1-2,5H2
InChIKeyNNVSUHXLQFCUFJ-UHFFFAOYSA-N
XLogP-1.48
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.18
LogP ≤ 5-1.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrol-1-yl) 2-(2,5-dioxopyrrolidin-1-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-dioxopyrrol-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)acetate?
The IUPAC name of (2,5-dioxopyrrol-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)acetate (CID 87683064) is (2,5-dioxopyrrol-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)acetate.
What is the SMILES notation for (2,5-dioxopyrrol-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)acetate?
The canonical SMILES for (2,5-dioxopyrrol-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)acetate is O=C(CN1C(=O)CCC1=O)ON1C(=O)C=CC1=O.
What is the InChIKey of (2,5-dioxopyrrol-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)acetate?
The InChIKey is NNVSUHXLQFCUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O6/c13-6-1-2-7(14)11(6)5-10(17)18-12-8(15)3-4-9(12)16/h3-4H,1-2,5H2.
What are the key properties of (2,5-dioxopyrrol-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)acetate?
(2,5-dioxopyrrol-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)acetate has a molecular weight of 252.18 g/mol, XLogP of -1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrol-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)acetate is sourced from PubChem (CID 87683064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).