5-iodooxolan-2-one

C4H5IO2 — CID 89119315

IUPAC5-iodooxolan-2-one
SMILESO=C1CCC(I)O1
InChIInChI=1S/C4H5IO2/c5-3-1-2-4(6)7-3/h3H,1-2H2
InChIKeyJEUWHSKCLSKILR-UHFFFAOYSA-N
MW211.99 g/mol
LogP1.08
Rot. Bonds

About 5-iodooxolan-2-one

5-iodooxolan-2-one (PubChem CID 89119315) has the molecular formula C4H5IO2 and a molecular weight of 211.99 g/mol. Its IUPAC name is 5-iodooxolan-2-one.

Molecular Properties

Compound Name5-iodooxolan-2-one
PubChem CID89119315
Molecular FormulaC4H5IO2
Molecular Weight211.99 g/mol
Exact Mass211.93
IUPAC Name5-iodooxolan-2-one
SMILESO=C1CCC(I)O1
InChIInChI=1S/C4H5IO2/c5-3-1-2-4(6)7-3/h3H,1-2H2
InChIKeyJEUWHSKCLSKILR-UHFFFAOYSA-N
XLogP1.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.99
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodooxolan-2-one?
The IUPAC name of 5-iodooxolan-2-one (CID 89119315) is 5-iodooxolan-2-one.
What is the SMILES notation for 5-iodooxolan-2-one?
The canonical SMILES for 5-iodooxolan-2-one is O=C1CCC(I)O1.
What is the InChIKey of 5-iodooxolan-2-one?
The InChIKey is JEUWHSKCLSKILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5IO2/c5-3-1-2-4(6)7-3/h3H,1-2H2.
What are the key properties of 5-iodooxolan-2-one?
5-iodooxolan-2-one has a molecular weight of 211.99 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodooxolan-2-one is sourced from PubChem (CID 89119315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).