(4S)-2-(2,2-dibromoethenyl)-2,4-dimethyl-1,3-oxazolidine

C7H11Br2NO — CID 141055532

IUPAC(4S)-2-(2,2-dibromoethenyl)-2,4-dimethyl-1,3-oxazolidine
SMILESC[C@H]1COC(C)(C=C(Br)Br)N1
InChIInChI=1S/C7H11Br2NO/c1-5-4-11-7(2,10-5)3-6(8)9/h3,5,10H,4H2,1-2H3/t5-,7?/m0/s1
InChIKeyIQERYYWJJCGCMB-DSEUIKHZSA-N
MW284.98 g/mol
LogP2.34
Rot. Bonds1

About (4S)-2-(2,2-dibromoethenyl)-2,4-dimethyl-1,3-oxazolidine

(4S)-2-(2,2-dibromoethenyl)-2,4-dimethyl-1,3-oxazolidine (PubChem CID 141055532) has the molecular formula C7H11Br2NO and a molecular weight of 284.98 g/mol. Its IUPAC name is (4S)-2-(2,2-dibromoethenyl)-2,4-dimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name(4S)-2-(2,2-dibromoethenyl)-2,4-dimethyl-1,3-oxazolidine
PubChem CID141055532
Molecular FormulaC7H11Br2NO
Molecular Weight284.98 g/mol
Exact Mass282.92
IUPAC Name(4S)-2-(2,2-dibromoethenyl)-2,4-dimethyl-1,3-oxazolidine
SMILESC[C@H]1COC(C)(C=C(Br)Br)N1
InChIInChI=1S/C7H11Br2NO/c1-5-4-11-7(2,10-5)3-6(8)9/h3,5,10H,4H2,1-2H3/t5-,7?/m0/s1
InChIKeyIQERYYWJJCGCMB-DSEUIKHZSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.98
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethenyl-2-ethyl-1,3-oxazolidine
CID 130442949
(4S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-1,3-oxazolidine
CID 141210371
2-Ethenyl-2-methyl-1,3-oxazolidine
CID 170699170

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(2,2-dibromoethenyl)-2,4-dimethyl-1,3-oxazolidine?
The IUPAC name of (4S)-2-(2,2-dibromoethenyl)-2,4-dimethyl-1,3-oxazolidine (CID 141055532) is (4S)-2-(2,2-dibromoethenyl)-2,4-dimethyl-1,3-oxazolidine.
What is the SMILES notation for (4S)-2-(2,2-dibromoethenyl)-2,4-dimethyl-1,3-oxazolidine?
The canonical SMILES for (4S)-2-(2,2-dibromoethenyl)-2,4-dimethyl-1,3-oxazolidine is C[C@H]1COC(C)(C=C(Br)Br)N1.
What is the InChIKey of (4S)-2-(2,2-dibromoethenyl)-2,4-dimethyl-1,3-oxazolidine?
The InChIKey is IQERYYWJJCGCMB-DSEUIKHZSA-N. The full InChI is InChI=1S/C7H11Br2NO/c1-5-4-11-7(2,10-5)3-6(8)9/h3,5,10H,4H2,1-2H3/t5-,7?/m0/s1.
What are the key properties of (4S)-2-(2,2-dibromoethenyl)-2,4-dimethyl-1,3-oxazolidine?
(4S)-2-(2,2-dibromoethenyl)-2,4-dimethyl-1,3-oxazolidine has a molecular weight of 284.98 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(2,2-dibromoethenyl)-2,4-dimethyl-1,3-oxazolidine is sourced from PubChem (CID 141055532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).