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

C5H8BrNO2 — CID 22757234

IUPAC3-(2-bromoethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCBr
InChIInChI=1S/C5H8BrNO2/c6-1-2-7-3-4-9-5(7)8/h1-4H2
InChIKeyWDEXBUYVNOGGEE-UHFFFAOYSA-N
MW194.03 g/mol
LogP0.83
Rot. Bonds2

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

3-(2-bromoethyl)-1,3-oxazolidin-2-one (PubChem CID 22757234) has the molecular formula C5H8BrNO2 and a molecular weight of 194.03 g/mol. Its IUPAC name is 3-(2-bromoethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-bromoethyl)-1,3-oxazolidin-2-one
PubChem CID22757234
Molecular FormulaC5H8BrNO2
Molecular Weight194.03 g/mol
Exact Mass192.97
IUPAC Name3-(2-bromoethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCBr
InChIInChI=1S/C5H8BrNO2/c6-1-2-7-3-4-9-5(7)8/h1-4H2
InChIKeyWDEXBUYVNOGGEE-UHFFFAOYSA-N
XLogP0.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.03
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-bromoethyl)-1,3-oxazolidin-2-one (CID 22757234) is 3-(2-bromoethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-bromoethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-bromoethyl)-1,3-oxazolidin-2-one is O=C1OCCN1CCBr.
What is the InChIKey of 3-(2-bromoethyl)-1,3-oxazolidin-2-one?
The InChIKey is WDEXBUYVNOGGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrNO2/c6-1-2-7-3-4-9-5(7)8/h1-4H2.
What are the key properties of 3-(2-bromoethyl)-1,3-oxazolidin-2-one?
3-(2-bromoethyl)-1,3-oxazolidin-2-one has a molecular weight of 194.03 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 22757234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).