3-(bromomethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione

C6H8BrNO3 — CID 19688495

IUPAC3-(bromomethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione
SMILESCC1(C)OC(=O)N(CBr)C1=O
InChIInChI=1S/C6H8BrNO3/c1-6(2)4(9)8(3-7)5(10)11-6/h3H2,1-2H3
InChIKeyMTGDWWSXTGPTPB-UHFFFAOYSA-N
MW222.04 g/mol
LogP1.10
Rot. Bonds1

About 3-(bromomethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione

3-(bromomethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione (PubChem CID 19688495) has the molecular formula C6H8BrNO3 and a molecular weight of 222.04 g/mol. Its IUPAC name is 3-(bromomethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-(bromomethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione
PubChem CID19688495
Molecular FormulaC6H8BrNO3
Molecular Weight222.04 g/mol
Exact Mass220.97
IUPAC Name3-(bromomethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione
SMILESCC1(C)OC(=O)N(CBr)C1=O
InChIInChI=1S/C6H8BrNO3/c1-6(2)4(9)8(3-7)5(10)11-6/h3H2,1-2H3
InChIKeyMTGDWWSXTGPTPB-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Trimethadione
CID 5576
Paramethadione
CID 8280
Ethadione
CID 10630
(5S)-5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 51380896
3-(Chloromethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 14153699
CID 51380897
CID 51380897
CID 58544150
CID 58544150
5,5-Dimethyl-3-(2-methylpropyl)-1,3-oxazolidine-2,4-dione
CID 58799575
5,5-Dimethyl-3-propyl-1,3-oxazolidine-2,4-dione
CID 59841136
3-Butyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 59841145
3,5,5-Trimethyl-1,3-oxazolidine-2,4-dione;hydrochloride
CID 140541883
Ethane;3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 143100633

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-(bromomethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione (CID 19688495) is 3-(bromomethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-(bromomethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-(bromomethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione is CC1(C)OC(=O)N(CBr)C1=O.
What is the InChIKey of 3-(bromomethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The InChIKey is MTGDWWSXTGPTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNO3/c1-6(2)4(9)8(3-7)5(10)11-6/h3H2,1-2H3.
What are the key properties of 3-(bromomethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
3-(bromomethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione has a molecular weight of 222.04 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 19688495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).