3-[(E)-2-iodoethenyl]-1,3-oxazolidin-2-one

C5H6INO2 — CID 24938545

IUPAC3-[(E)-2-iodoethenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1/C=C/I
InChIInChI=1S/C5H6INO2/c6-1-2-7-3-4-9-5(7)8/h1-2H,3-4H2/b2-1+
InChIKeyKCGKBEAKAIVOEA-OWOJBTEDSA-N
MW239.01 g/mol
LogP1.34
Rot. Bonds1

About 3-[(E)-2-iodoethenyl]-1,3-oxazolidin-2-one

3-[(E)-2-iodoethenyl]-1,3-oxazolidin-2-one (PubChem CID 24938545) has the molecular formula C5H6INO2 and a molecular weight of 239.01 g/mol. Its IUPAC name is 3-[(E)-2-iodoethenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-2-iodoethenyl]-1,3-oxazolidin-2-one
PubChem CID24938545
Molecular FormulaC5H6INO2
Molecular Weight239.01 g/mol
Exact Mass238.94
IUPAC Name3-[(E)-2-iodoethenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1/C=C/I
InChIInChI=1S/C5H6INO2/c6-1-2-7-3-4-9-5(7)8/h1-2H,3-4H2/b2-1+
InChIKeyKCGKBEAKAIVOEA-OWOJBTEDSA-N
XLogP1.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.01
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-iodoethenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-2-iodoethenyl]-1,3-oxazolidin-2-one (CID 24938545) is 3-[(E)-2-iodoethenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-2-iodoethenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-2-iodoethenyl]-1,3-oxazolidin-2-one is O=C1OCCN1/C=C/I.
What is the InChIKey of 3-[(E)-2-iodoethenyl]-1,3-oxazolidin-2-one?
The InChIKey is KCGKBEAKAIVOEA-OWOJBTEDSA-N. The full InChI is InChI=1S/C5H6INO2/c6-1-2-7-3-4-9-5(7)8/h1-2H,3-4H2/b2-1+.
What are the key properties of 3-[(E)-2-iodoethenyl]-1,3-oxazolidin-2-one?
3-[(E)-2-iodoethenyl]-1,3-oxazolidin-2-one has a molecular weight of 239.01 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-iodoethenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 24938545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).