2-oxoazetidine-1-carbonyl iodide

C4H4INO2 — CID 89257637

IUPAC2-oxoazetidine-1-carbonyl iodide
SMILESO=C(I)N1CCC1=O
InChIInChI=1S/C4H4INO2/c5-4(8)6-2-1-3(6)7/h1-2H2
InChIKeyOMDRMBXOEQJJAB-UHFFFAOYSA-N
MW224.98 g/mol
LogP0.77
Rot. Bonds

About 2-oxoazetidine-1-carbonyl iodide

2-oxoazetidine-1-carbonyl iodide (PubChem CID 89257637) has the molecular formula C4H4INO2 and a molecular weight of 224.98 g/mol. Its IUPAC name is 2-oxoazetidine-1-carbonyl iodide.

Molecular Properties

Compound Name2-oxoazetidine-1-carbonyl iodide
PubChem CID89257637
Molecular FormulaC4H4INO2
Molecular Weight224.98 g/mol
Exact Mass224.93
IUPAC Name2-oxoazetidine-1-carbonyl iodide
SMILESO=C(I)N1CCC1=O
InChIInChI=1S/C4H4INO2/c5-4(8)6-2-1-3(6)7/h1-2H2
InChIKeyOMDRMBXOEQJJAB-UHFFFAOYSA-N
XLogP0.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.98
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxoazetidine-1-carbonyl iodide?
The IUPAC name of 2-oxoazetidine-1-carbonyl iodide (CID 89257637) is 2-oxoazetidine-1-carbonyl iodide.
What is the SMILES notation for 2-oxoazetidine-1-carbonyl iodide?
The canonical SMILES for 2-oxoazetidine-1-carbonyl iodide is O=C(I)N1CCC1=O.
What is the InChIKey of 2-oxoazetidine-1-carbonyl iodide?
The InChIKey is OMDRMBXOEQJJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4INO2/c5-4(8)6-2-1-3(6)7/h1-2H2.
What are the key properties of 2-oxoazetidine-1-carbonyl iodide?
2-oxoazetidine-1-carbonyl iodide has a molecular weight of 224.98 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoazetidine-1-carbonyl iodide is sourced from PubChem (CID 89257637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).