4-iodomorpholine-2,6-dione

C4H4INO3 — CID 144844841

IUPAC4-iodomorpholine-2,6-dione
SMILESO=C1CN(I)CC(=O)O1
InChIInChI=1S/C4H4INO3/c5-6-1-3(7)9-4(8)2-6/h1-2H2
InChIKeyCQBBTIOPQDTIGT-UHFFFAOYSA-N
MW240.98 g/mol
LogP-0.28
Rot. Bonds

About 4-iodomorpholine-2,6-dione

4-iodomorpholine-2,6-dione (PubChem CID 144844841) has the molecular formula C4H4INO3 and a molecular weight of 240.98 g/mol. Its IUPAC name is 4-iodomorpholine-2,6-dione.

Molecular Properties

Compound Name4-iodomorpholine-2,6-dione
PubChem CID144844841
Molecular FormulaC4H4INO3
Molecular Weight240.98 g/mol
Exact Mass240.92
IUPAC Name4-iodomorpholine-2,6-dione
SMILESO=C1CN(I)CC(=O)O1
InChIInChI=1S/C4H4INO3/c5-6-1-3(7)9-4(8)2-6/h1-2H2
InChIKeyCQBBTIOPQDTIGT-UHFFFAOYSA-N
XLogP-0.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.98
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-iodomorpholine-2,6-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 4-iodomorpholine-2,6-dione?
The IUPAC name of 4-iodomorpholine-2,6-dione (CID 144844841) is 4-iodomorpholine-2,6-dione.
What is the SMILES notation for 4-iodomorpholine-2,6-dione?
The canonical SMILES for 4-iodomorpholine-2,6-dione is O=C1CN(I)CC(=O)O1.
What is the InChIKey of 4-iodomorpholine-2,6-dione?
The InChIKey is CQBBTIOPQDTIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4INO3/c5-6-1-3(7)9-4(8)2-6/h1-2H2.
What are the key properties of 4-iodomorpholine-2,6-dione?
4-iodomorpholine-2,6-dione has a molecular weight of 240.98 g/mol, XLogP of -0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodomorpholine-2,6-dione is sourced from PubChem (CID 144844841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).