4-(2,2-dibromoethenyl)-2,2,3-trimethyl-1,3-oxazolidine

C8H13Br2NO — CID 11174047

IUPAC4-(2,2-dibromoethenyl)-2,2,3-trimethyl-1,3-oxazolidine
SMILESCN1C(C=C(Br)Br)COC1(C)C
InChIInChI=1S/C8H13Br2NO/c1-8(2)11(3)6(5-12-8)4-7(9)10/h4,6H,5H2,1-3H3
InChIKeyWMNWUKKFSTVRSX-UHFFFAOYSA-N
MW299.01 g/mol
LogP2.68
Rot. Bonds1

About 4-(2,2-dibromoethenyl)-2,2,3-trimethyl-1,3-oxazolidine

4-(2,2-dibromoethenyl)-2,2,3-trimethyl-1,3-oxazolidine (PubChem CID 11174047) has the molecular formula C8H13Br2NO and a molecular weight of 299.01 g/mol. Its IUPAC name is 4-(2,2-dibromoethenyl)-2,2,3-trimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name4-(2,2-dibromoethenyl)-2,2,3-trimethyl-1,3-oxazolidine
PubChem CID11174047
Molecular FormulaC8H13Br2NO
Molecular Weight299.01 g/mol
Exact Mass296.94
IUPAC Name4-(2,2-dibromoethenyl)-2,2,3-trimethyl-1,3-oxazolidine
SMILESCN1C(C=C(Br)Br)COC1(C)C
InChIInChI=1S/C8H13Br2NO/c1-8(2)11(3)6(5-12-8)4-7(9)10/h4,6H,5H2,1-3H3
InChIKeyWMNWUKKFSTVRSX-UHFFFAOYSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.01
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-(3-bromo-2-fluoroprop-1-enyl)-2,2,3-trimethyl-1,3-oxazolidine
CID 54226526
(4S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-oxazolidine
CID 141210371
4-Ethenyl-2,2,3-trimethyl-1,3-oxazolidine
CID 153594134
(4S)-4-ethenyl-2,2,3-trimethyl-1,3-oxazolidine
CID 170267213

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dibromoethenyl)-2,2,3-trimethyl-1,3-oxazolidine?
The IUPAC name of 4-(2,2-dibromoethenyl)-2,2,3-trimethyl-1,3-oxazolidine (CID 11174047) is 4-(2,2-dibromoethenyl)-2,2,3-trimethyl-1,3-oxazolidine.
What is the SMILES notation for 4-(2,2-dibromoethenyl)-2,2,3-trimethyl-1,3-oxazolidine?
The canonical SMILES for 4-(2,2-dibromoethenyl)-2,2,3-trimethyl-1,3-oxazolidine is CN1C(C=C(Br)Br)COC1(C)C.
What is the InChIKey of 4-(2,2-dibromoethenyl)-2,2,3-trimethyl-1,3-oxazolidine?
The InChIKey is WMNWUKKFSTVRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Br2NO/c1-8(2)11(3)6(5-12-8)4-7(9)10/h4,6H,5H2,1-3H3.
What are the key properties of 4-(2,2-dibromoethenyl)-2,2,3-trimethyl-1,3-oxazolidine?
4-(2,2-dibromoethenyl)-2,2,3-trimethyl-1,3-oxazolidine has a molecular weight of 299.01 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dibromoethenyl)-2,2,3-trimethyl-1,3-oxazolidine is sourced from PubChem (CID 11174047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).