3,4-diiodopyrrolidine-2,5-dione

C4H3I2NO2 — CID 67657284

IUPAC3,4-diiodopyrrolidine-2,5-dione
SMILESO=C1NC(=O)C(I)C1I
InChIInChI=1S/C4H3I2NO2/c5-1-2(6)4(9)7-3(1)8/h1-2H,(H,7,8,9)
InChIKeyIXKLKYDCLVZGQK-UHFFFAOYSA-N
MW350.88 g/mol
LogP0.25
Rot. Bonds

About 3,4-diiodopyrrolidine-2,5-dione

3,4-diiodopyrrolidine-2,5-dione (PubChem CID 67657284) has the molecular formula C4H3I2NO2 and a molecular weight of 350.88 g/mol. Its IUPAC name is 3,4-diiodopyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,4-diiodopyrrolidine-2,5-dione
PubChem CID67657284
Molecular FormulaC4H3I2NO2
Molecular Weight350.88 g/mol
Exact Mass350.83
IUPAC Name3,4-diiodopyrrolidine-2,5-dione
SMILESO=C1NC(=O)C(I)C1I
InChIInChI=1S/C4H3I2NO2/c5-1-2(6)4(9)7-3(1)8/h1-2H,(H,7,8,9)
InChIKeyIXKLKYDCLVZGQK-UHFFFAOYSA-N
XLogP0.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.88
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,4-diiodopyrrolidine-2,5-dione 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 3,4-diiodopyrrolidine-2,5-dione?
The IUPAC name of 3,4-diiodopyrrolidine-2,5-dione (CID 67657284) is 3,4-diiodopyrrolidine-2,5-dione.
What is the SMILES notation for 3,4-diiodopyrrolidine-2,5-dione?
The canonical SMILES for 3,4-diiodopyrrolidine-2,5-dione is O=C1NC(=O)C(I)C1I.
What is the InChIKey of 3,4-diiodopyrrolidine-2,5-dione?
The InChIKey is IXKLKYDCLVZGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3I2NO2/c5-1-2(6)4(9)7-3(1)8/h1-2H,(H,7,8,9).
What are the key properties of 3,4-diiodopyrrolidine-2,5-dione?
3,4-diiodopyrrolidine-2,5-dione has a molecular weight of 350.88 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diiodopyrrolidine-2,5-dione is sourced from PubChem (CID 67657284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).