2-bromo-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone

C7H12BrNO2 — CID 147851461

IUPAC2-bromo-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone
SMILESCC1(C)OCCN1C(=O)CBr
InChIInChI=1S/C7H12BrNO2/c1-7(2)9(3-4-11-7)6(10)5-8/h3-5H2,1-2H3
InChIKeyHUXDDECQZHZVKO-UHFFFAOYSA-N
MW222.08 g/mol
LogP0.98
Rot. Bonds1

About 2-bromo-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone

2-bromo-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone (PubChem CID 147851461) has the molecular formula C7H12BrNO2 and a molecular weight of 222.08 g/mol. Its IUPAC name is 2-bromo-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone
PubChem CID147851461
Molecular FormulaC7H12BrNO2
Molecular Weight222.08 g/mol
Exact Mass221.01
IUPAC Name2-bromo-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone
SMILESCC1(C)OCCN1C(=O)CBr
InChIInChI=1S/C7H12BrNO2/c1-7(2)9(3-4-11-7)6(10)5-8/h3-5H2,1-2H3
InChIKeyHUXDDECQZHZVKO-UHFFFAOYSA-N
XLogP0.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.08
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,4-bis(2,2-dimethyl-1,3-oxazolidin-3-yl)but-2-ene-1,4-dione
CID 11150237
2,2-dichloro-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone
CID 11492198
2-(4-bromophenyl)ethenyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 151318040
bis(2,2-dimethyl-1,3-oxazolidine-3-carbodithioate);bis(triethylazanium)
CID 86736050
propan-2-yl 2,2-dimethyl-1,3-oxazolidine-3-carbodithioate
CID 42600798
tert-butyl 2,2-dimethyl-1,3-oxazolidine-3-carboxylate;N-ethyl-N-methylaniline
CID 143735127
(2S)-2-amino-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-3-(4-phenylphenyl)propan-1-one
CID 23645383
(2,2-dimethyl-1,3-oxazolidin-3-yl)-(2-methoxynaphthalen-1-yl)methanone
CID 68874749
2-bromo-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103355718
2,2-dichloro-1-(2-ethyl-2-methyl-1,3-oxazolidin-3-yl)ethanone
CID 12906840
N-(3,4-dichlorophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxamide
CID 134086769
1-bromopropan-2-one;hydrofluoride
CID 159011031

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone?
The IUPAC name of 2-bromo-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone (CID 147851461) is 2-bromo-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone?
The canonical SMILES for 2-bromo-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone is CC1(C)OCCN1C(=O)CBr.
What is the InChIKey of 2-bromo-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone?
The InChIKey is HUXDDECQZHZVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrNO2/c1-7(2)9(3-4-11-7)6(10)5-8/h3-5H2,1-2H3.
What are the key properties of 2-bromo-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone?
2-bromo-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone has a molecular weight of 222.08 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)ethanone is sourced from PubChem (CID 147851461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).