3-(2-iodoethyl)-1,3-oxazolidin-2-one

C5H8INO2 — CID 575068

IUPAC3-(2-iodoethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCI
InChIInChI=1S/C5H8INO2/c6-1-2-7-3-4-9-5(7)8/h1-4H2
InChIKeyAXABFVNBDHMCDU-UHFFFAOYSA-N
MW241.03 g/mol
LogP0.87
Rot. Bonds2

About 3-(2-iodoethyl)-1,3-oxazolidin-2-one

3-(2-iodoethyl)-1,3-oxazolidin-2-one (PubChem CID 575068) has the molecular formula C5H8INO2 and a molecular weight of 241.03 g/mol. Its IUPAC name is 3-(2-iodoethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-iodoethyl)-1,3-oxazolidin-2-one
PubChem CID575068
Molecular FormulaC5H8INO2
Molecular Weight241.03 g/mol
Exact Mass240.96
IUPAC Name3-(2-iodoethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCI
InChIInChI=1S/C5H8INO2/c6-1-2-7-3-4-9-5(7)8/h1-4H2
InChIKeyAXABFVNBDHMCDU-UHFFFAOYSA-N
XLogP0.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.03
LogP ≤ 50.87
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 3-(2-iodoethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-iodoethyl)-1,3-oxazolidin-2-one (CID 575068) is 3-(2-iodoethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-iodoethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-iodoethyl)-1,3-oxazolidin-2-one is O=C1OCCN1CCI.
What is the InChIKey of 3-(2-iodoethyl)-1,3-oxazolidin-2-one?
The InChIKey is AXABFVNBDHMCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8INO2/c6-1-2-7-3-4-9-5(7)8/h1-4H2.
What are the key properties of 3-(2-iodoethyl)-1,3-oxazolidin-2-one?
3-(2-iodoethyl)-1,3-oxazolidin-2-one has a molecular weight of 241.03 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iodoethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 575068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).