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

C5H6BrNO3 — CID 11310290

IUPAC3-(2-bromoacetyl)-1,3-oxazolidin-2-one
SMILESO=C(CBr)N1CCOC1=O
InChIInChI=1S/C5H6BrNO3/c6-3-4(8)7-1-2-10-5(7)9/h1-3H2
InChIKeyRCDDNPXTKOLUKF-UHFFFAOYSA-N
MW208.01 g/mol
LogP0.36
Rot. Bonds1

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

3-(2-bromoacetyl)-1,3-oxazolidin-2-one (PubChem CID 11310290) has the molecular formula C5H6BrNO3 and a molecular weight of 208.01 g/mol. Its IUPAC name is 3-(2-bromoacetyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-bromoacetyl)-1,3-oxazolidin-2-one
PubChem CID11310290
Molecular FormulaC5H6BrNO3
Molecular Weight208.01 g/mol
Exact Mass206.95
IUPAC Name3-(2-bromoacetyl)-1,3-oxazolidin-2-one
SMILESO=C(CBr)N1CCOC1=O
InChIInChI=1S/C5H6BrNO3/c6-3-4(8)7-1-2-10-5(7)9/h1-3H2
InChIKeyRCDDNPXTKOLUKF-UHFFFAOYSA-N
XLogP0.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.01
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-bromoacetyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-bromoacetyl)-1,3-oxazolidin-2-one (CID 11310290) is 3-(2-bromoacetyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-bromoacetyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-bromoacetyl)-1,3-oxazolidin-2-one is O=C(CBr)N1CCOC1=O.
What is the InChIKey of 3-(2-bromoacetyl)-1,3-oxazolidin-2-one?
The InChIKey is RCDDNPXTKOLUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrNO3/c6-3-4(8)7-1-2-10-5(7)9/h1-3H2.
What are the key properties of 3-(2-bromoacetyl)-1,3-oxazolidin-2-one?
3-(2-bromoacetyl)-1,3-oxazolidin-2-one has a molecular weight of 208.01 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoacetyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11310290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).