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

C6H8BrNO3 — CID 10922077

IUPAC3-(2-bromopropanoyl)-1,3-oxazolidin-2-one
SMILESCC(Br)C(=O)N1CCOC1=O
InChIInChI=1S/C6H8BrNO3/c1-4(7)5(9)8-2-3-11-6(8)10/h4H,2-3H2,1H3
InChIKeyJGFGPUIJCNSTEV-UHFFFAOYSA-N
MW222.04 g/mol
LogP0.75
Rot. Bonds1

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

3-(2-bromopropanoyl)-1,3-oxazolidin-2-one (PubChem CID 10922077) has the molecular formula C6H8BrNO3 and a molecular weight of 222.04 g/mol. Its IUPAC name is 3-(2-bromopropanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-bromopropanoyl)-1,3-oxazolidin-2-one
PubChem CID10922077
Molecular FormulaC6H8BrNO3
Molecular Weight222.04 g/mol
Exact Mass220.97
IUPAC Name3-(2-bromopropanoyl)-1,3-oxazolidin-2-one
SMILESCC(Br)C(=O)N1CCOC1=O
InChIInChI=1S/C6H8BrNO3/c1-4(7)5(9)8-2-3-11-6(8)10/h4H,2-3H2,1H3
InChIKeyJGFGPUIJCNSTEV-UHFFFAOYSA-N
XLogP0.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.04
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Propionyl Oxazolidinone
CID 641554
(4S)-3-(2-Bromopropionyl)-4-isopropyloxazolidin-2-one
CID 10923394
2-Oxazolidinone, 3-(bromoacetyl)-
CID 11310290
3-(2-Bromobutanoyl)-1,3-oxazolidin-2-one
CID 15313369
N-(4-bromobutyryl)oxazolidinone
CID 85668106
Bromopropionyl oxazolidinone
CID 130736703
3-(2-Bromopropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 13968187
3-(2-Bromopentanoyl)-1,3-oxazolidin-2-one
CID 22404846
(4R)-3-(2-bromoacetyl)-4-methyl-1,3-oxazolidin-2-one
CID 59100835
4-Bromo-3-propanoyl-1,3-oxazolidin-2-one
CID 91603968
(4S)-3-(2-bromopropanoyl)-4-(1-methoxyethyl)-1,3-oxazolidin-2-one
CID 139669336
(4S)-3-(2-bromopropanoyl)-4-methyl-1,3-oxazolidin-2-one
CID 139669340

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromopropanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-bromopropanoyl)-1,3-oxazolidin-2-one (CID 10922077) is 3-(2-bromopropanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-bromopropanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-bromopropanoyl)-1,3-oxazolidin-2-one is CC(Br)C(=O)N1CCOC1=O.
What is the InChIKey of 3-(2-bromopropanoyl)-1,3-oxazolidin-2-one?
The InChIKey is JGFGPUIJCNSTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNO3/c1-4(7)5(9)8-2-3-11-6(8)10/h4H,2-3H2,1H3.
What are the key properties of 3-(2-bromopropanoyl)-1,3-oxazolidin-2-one?
3-(2-bromopropanoyl)-1,3-oxazolidin-2-one has a molecular weight of 222.04 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromopropanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10922077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).