3-iodopyrrolidine-2,5-dione

C4H4INO2 — CID 22065879

IUPAC3-iodopyrrolidine-2,5-dione
SMILESO=C1CC(I)C(=O)N1
InChIInChI=1S/C4H4INO2/c5-2-1-3(7)6-4(2)8/h2H,1H2,(H,6,7,8)
InChIKeyHRADVHZVMOMEPU-UHFFFAOYSA-N
MW224.98 g/mol
LogP-0.16
Rot. Bonds

About 3-iodopyrrolidine-2,5-dione

3-iodopyrrolidine-2,5-dione (PubChem CID 22065879) has the molecular formula C4H4INO2 and a molecular weight of 224.98 g/mol. Its IUPAC name is 3-iodopyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-iodopyrrolidine-2,5-dione
PubChem CID22065879
Molecular FormulaC4H4INO2
Molecular Weight224.98 g/mol
Exact Mass224.93
IUPAC Name3-iodopyrrolidine-2,5-dione
SMILESO=C1CC(I)C(=O)N1
InChIInChI=1S/C4H4INO2/c5-2-1-3(7)6-4(2)8/h2H,1H2,(H,6,7,8)
InChIKeyHRADVHZVMOMEPU-UHFFFAOYSA-N
XLogP-0.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.98
LogP ≤ 5-0.16
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-iodopyrrolidine-2,5-dione?
The IUPAC name of 3-iodopyrrolidine-2,5-dione (CID 22065879) is 3-iodopyrrolidine-2,5-dione.
What is the SMILES notation for 3-iodopyrrolidine-2,5-dione?
The canonical SMILES for 3-iodopyrrolidine-2,5-dione is O=C1CC(I)C(=O)N1.
What is the InChIKey of 3-iodopyrrolidine-2,5-dione?
The InChIKey is HRADVHZVMOMEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4INO2/c5-2-1-3(7)6-4(2)8/h2H,1H2,(H,6,7,8).
What are the key properties of 3-iodopyrrolidine-2,5-dione?
3-iodopyrrolidine-2,5-dione has a molecular weight of 224.98 g/mol, XLogP of -0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodopyrrolidine-2,5-dione is sourced from PubChem (CID 22065879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).