tert-butyl (5R)-3-bromo-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxylate

C11H17BrN2O3 — CID 58134908

IUPACtert-butyl (5R)-3-bromo-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@]2(CC(Br)=NO2)C1
InChIInChI=1S/C11H17BrN2O3/c1-10(2,3)16-9(15)14-5-4-11(7-14)6-8(12)13-17-11/h4-7H2,1-3H3/t11-/m1/s1
InChIKeySVESNNROFZDDDJ-LLVKDONJSA-N
MW305.17 g/mol
LogP2.49
Rot. Bonds

About tert-butyl (5R)-3-bromo-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxylate

tert-butyl (5R)-3-bromo-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxylate (PubChem CID 58134908) has the molecular formula C11H17BrN2O3 and a molecular weight of 305.17 g/mol. Its IUPAC name is tert-butyl (5R)-3-bromo-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxylate.

Molecular Properties

Compound Nametert-butyl (5R)-3-bromo-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxylate
PubChem CID58134908
Molecular FormulaC11H17BrN2O3
Molecular Weight305.17 g/mol
Exact Mass304.04
IUPAC Nametert-butyl (5R)-3-bromo-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@]2(CC(Br)=NO2)C1
InChIInChI=1S/C11H17BrN2O3/c1-10(2,3)16-9(15)14-5-4-11(7-14)6-8(12)13-17-11/h4-7H2,1-3H3/t11-/m1/s1
InChIKeySVESNNROFZDDDJ-LLVKDONJSA-N
XLogP2.49
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (5R)-3-bromo-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxylate with MolForge

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Related Compounds

tert-butyl 3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate
CID 176720221
tert-butyl 7-bromo-3,3-dimethyl-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylate
CID 118897864
tert-butyl 3-prop-2-enoyl-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate
CID 166115550
tert-butyl 3-bromo-1-methyl-7-oxospiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carboxylate
CID 177063178
zinc tert-butyl 3-methanidyl-3-methylpyrrolidine-1-carboxylate
CID 162464292
tert-butyl 2,4-dioxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 155577232
tert-butyl 3-[4-(methylcarbamothioyl)cyclohexyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxylate
CID 142544368
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424
tert-butyl 2-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 22975821
tert-butyl (3S)-3-bromo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 41417340
tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-2-carboxylate
CID 82386799
tert-butyl 7,9-dimethyl-8-oxo-2-azaspiro[4.5]decane-2-carboxylate
CID 134201957

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5R)-3-bromo-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxylate?
The IUPAC name of tert-butyl (5R)-3-bromo-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxylate (CID 58134908) is tert-butyl (5R)-3-bromo-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxylate.
What is the SMILES notation for tert-butyl (5R)-3-bromo-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxylate?
The canonical SMILES for tert-butyl (5R)-3-bromo-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxylate is CC(C)(C)OC(=O)N1CC[C@@]2(CC(Br)=NO2)C1.
What is the InChIKey of tert-butyl (5R)-3-bromo-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxylate?
The InChIKey is SVESNNROFZDDDJ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17BrN2O3/c1-10(2,3)16-9(15)14-5-4-11(7-14)6-8(12)13-17-11/h4-7H2,1-3H3/t11-/m1/s1.
What are the key properties of tert-butyl (5R)-3-bromo-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxylate?
tert-butyl (5R)-3-bromo-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxylate has a molecular weight of 305.17 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5R)-3-bromo-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxylate is sourced from PubChem (CID 58134908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).