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

C6H8BrNO3 — CID 130736703

IUPAC3-(3-bromopropanoyl)-1,3-oxazolidin-2-one
SMILESO=C(CCBr)N1CCOC1=O
InChIInChI=1S/C6H8BrNO3/c7-2-1-5(9)8-3-4-11-6(8)10/h1-4H2
InChIKeyUGXPNNNXDSKAJN-UHFFFAOYSA-N
MW222.04 g/mol
LogP0.75
Rot. Bonds2

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

3-(3-bromopropanoyl)-1,3-oxazolidin-2-one (PubChem CID 130736703) has the molecular formula C6H8BrNO3 and a molecular weight of 222.04 g/mol. Its IUPAC name is 3-(3-bromopropanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-bromopropanoyl)-1,3-oxazolidin-2-one
PubChem CID130736703
Molecular FormulaC6H8BrNO3
Molecular Weight222.04 g/mol
Exact Mass220.97
IUPAC Name3-(3-bromopropanoyl)-1,3-oxazolidin-2-one
SMILESO=C(CCBr)N1CCOC1=O
InChIInChI=1S/C6H8BrNO3/c7-2-1-5(9)8-3-4-11-6(8)10/h1-4H2
InChIKeyUGXPNNNXDSKAJN-UHFFFAOYSA-N
XLogP0.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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

3-(2-Bromoethyl)-1,3-oxazolidin-2-one
CID 22757234
5-(Bromomethyl)-3-ethyl-1,3-oxazolidin-2-one
CID 82395502
Propionyl Oxazolidinone
CID 641554
3-(3-Bromo-3,3-difluoropropanoyl)-1,3-oxazolidin-2-one
CID 102382245
3-(2'-Bromopropionyl)oxazolidin-2-one
CID 10922077
2-Oxazolidinone, 3-(bromoacetyl)-
CID 11310290
3-(3-Bromopropyl)-1,3-oxazolidin-2-one
CID 43135398
3-(2-Bromobutanoyl)-1,3-oxazolidin-2-one
CID 15313369
N-(4-bromobutyryl)oxazolidinone
CID 85668106
3-Acetyl-4-bromo-5-(tribromomethyl)-1,3-oxazolidin-2-one
CID 134936797
3-(5-Bromopentanoyl)-1,3-oxazolidin-2-one
CID 54194262
(4R)-3-(2-bromoacetyl)-4-methyl-1,3-oxazolidin-2-one
CID 59100835

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromopropanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-bromopropanoyl)-1,3-oxazolidin-2-one (CID 130736703) is 3-(3-bromopropanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-bromopropanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-bromopropanoyl)-1,3-oxazolidin-2-one is O=C(CCBr)N1CCOC1=O.
What is the InChIKey of 3-(3-bromopropanoyl)-1,3-oxazolidin-2-one?
The InChIKey is UGXPNNNXDSKAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNO3/c7-2-1-5(9)8-3-4-11-6(8)10/h1-4H2.
What are the key properties of 3-(3-bromopropanoyl)-1,3-oxazolidin-2-one?
3-(3-bromopropanoyl)-1,3-oxazolidin-2-one has a molecular weight of 222.04 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromopropanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 130736703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).