(4R)-3-(2-bromoacetyl)-4-methyl-1,3-oxazolidin-2-one

C6H8BrNO3 — CID 59100835

IUPAC(4R)-3-(2-bromoacetyl)-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1COC(=O)N1C(=O)CBr
InChIInChI=1S/C6H8BrNO3/c1-4-3-11-6(10)8(4)5(9)2-7/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyKWPCLWAPJWBLOL-SCSAIBSYSA-N
MW222.04 g/mol
LogP0.75
Rot. Bonds1

About (4R)-3-(2-bromoacetyl)-4-methyl-1,3-oxazolidin-2-one

(4R)-3-(2-bromoacetyl)-4-methyl-1,3-oxazolidin-2-one (PubChem CID 59100835) has the molecular formula C6H8BrNO3 and a molecular weight of 222.04 g/mol. Its IUPAC name is (4R)-3-(2-bromoacetyl)-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-(2-bromoacetyl)-4-methyl-1,3-oxazolidin-2-one
PubChem CID59100835
Molecular FormulaC6H8BrNO3
Molecular Weight222.04 g/mol
Exact Mass220.97
IUPAC Name(4R)-3-(2-bromoacetyl)-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1COC(=O)N1C(=O)CBr
InChIInChI=1S/C6H8BrNO3/c1-4-3-11-6(10)8(4)5(9)2-7/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyKWPCLWAPJWBLOL-SCSAIBSYSA-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

(4S)-3-(2-Bromoacetyl)-4-(propan-2-YL)-1,3-oxazolidin-2-one
CID 10014983
3-(2'-Bromopropionyl)oxazolidin-2-one
CID 10922077
(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
Bromopropionyl oxazolidinone
CID 130736703
(R)-3-(2-bromoacetyl)-4-isopropyloxazolidin-2-one
CID 11128706
(4S)-4-methyl-3-propanoyl-1,3-oxazolidin-2-one
CID 11480579
3-(2-Bromoacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 13347890
3-Acetyl-4-ethyl-1,3-oxazolidin-2-one
CID 13471868
3-(2-Bromopropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 13968187
4-Methyl-3-propanoyl-1,3-oxazolidin-2-one
CID 18325703

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(2-bromoacetyl)-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-(2-bromoacetyl)-4-methyl-1,3-oxazolidin-2-one (CID 59100835) is (4R)-3-(2-bromoacetyl)-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-(2-bromoacetyl)-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-(2-bromoacetyl)-4-methyl-1,3-oxazolidin-2-one is C[C@@H]1COC(=O)N1C(=O)CBr.
What is the InChIKey of (4R)-3-(2-bromoacetyl)-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is KWPCLWAPJWBLOL-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H8BrNO3/c1-4-3-11-6(10)8(4)5(9)2-7/h4H,2-3H2,1H3/t4-/m1/s1.
What are the key properties of (4R)-3-(2-bromoacetyl)-4-methyl-1,3-oxazolidin-2-one?
(4R)-3-(2-bromoacetyl)-4-methyl-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 (4R)-3-(2-bromoacetyl)-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59100835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).