tert-butyl (5Z)-5-hydroxyimino-2,7-diazaspiro[3.4]octane-2-carboxylate

C11H19N3O3 — CID 126662052

IUPACtert-butyl (5Z)-5-hydroxyimino-2,7-diazaspiro[3.4]octane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CNC/C2=N\O)C1
InChIInChI=1S/C11H19N3O3/c1-10(2,3)17-9(15)14-6-11(7-14)5-12-4-8(11)13-16/h12,16H,4-7H2,1-3H3/b13-8+
InChIKeyBLCQFUHGGPWKNA-MDWZMJQESA-N
MW241.29 g/mol
LogP0.66
Rot. Bonds

About tert-butyl (5Z)-5-hydroxyimino-2,7-diazaspiro[3.4]octane-2-carboxylate

tert-butyl (5Z)-5-hydroxyimino-2,7-diazaspiro[3.4]octane-2-carboxylate (PubChem CID 126662052) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is tert-butyl (5Z)-5-hydroxyimino-2,7-diazaspiro[3.4]octane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (5Z)-5-hydroxyimino-2,7-diazaspiro[3.4]octane-2-carboxylate
PubChem CID126662052
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Nametert-butyl (5Z)-5-hydroxyimino-2,7-diazaspiro[3.4]octane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CNC/C2=N\O)C1
InChIInChI=1S/C11H19N3O3/c1-10(2,3)17-9(15)14-6-11(7-14)5-12-4-8(11)13-16/h12,16H,4-7H2,1-3H3/b13-8+
InChIKeyBLCQFUHGGPWKNA-MDWZMJQESA-N
XLogP0.66
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (7E)-7-hydroxyimino-5-azaspiro[2.4]heptane-5-carboxylate
CID 11390503
tert-butyl 3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 130003362
tert-butyl 4-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 83488478
tert-butyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 82387927
bis(tert-butyl 2,6-diazaspiro[3.3]heptane-2-carboxylate);oxalic acid
CID 50902214
tert-butyl 10-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 74788415
tert-butyl 11-oxo-2,7-diazaspiro[4.6]undecane-7-carboxylate
CID 83488912
tert-butyl 6-(dimethylhydrazinylidene)-2-azaspiro[3.3]heptane-2-carboxylate
CID 168975531
tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;ethane
CID 168901437
tert-butyl (3aS,6aS)-3a,6a-difluoro-3-oxo-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 99725778
methanesulfonic acid;2,2,2-trifluoro-1-(5-methoxyimino-2,7-diazaspiro[3.4]octan-2-yl)ethanone
CID 118524699
tert-butyl (3E)-3-hydroxyiminopyrrolidine-1-carboxylate
CID 22849736

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5Z)-5-hydroxyimino-2,7-diazaspiro[3.4]octane-2-carboxylate?
The IUPAC name of tert-butyl (5Z)-5-hydroxyimino-2,7-diazaspiro[3.4]octane-2-carboxylate (CID 126662052) is tert-butyl (5Z)-5-hydroxyimino-2,7-diazaspiro[3.4]octane-2-carboxylate.
What is the SMILES notation for tert-butyl (5Z)-5-hydroxyimino-2,7-diazaspiro[3.4]octane-2-carboxylate?
The canonical SMILES for tert-butyl (5Z)-5-hydroxyimino-2,7-diazaspiro[3.4]octane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(CNC/C2=N\O)C1.
What is the InChIKey of tert-butyl (5Z)-5-hydroxyimino-2,7-diazaspiro[3.4]octane-2-carboxylate?
The InChIKey is BLCQFUHGGPWKNA-MDWZMJQESA-N. The full InChI is InChI=1S/C11H19N3O3/c1-10(2,3)17-9(15)14-6-11(7-14)5-12-4-8(11)13-16/h12,16H,4-7H2,1-3H3/b13-8+.
What are the key properties of tert-butyl (5Z)-5-hydroxyimino-2,7-diazaspiro[3.4]octane-2-carboxylate?
tert-butyl (5Z)-5-hydroxyimino-2,7-diazaspiro[3.4]octane-2-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5Z)-5-hydroxyimino-2,7-diazaspiro[3.4]octane-2-carboxylate is sourced from PubChem (CID 126662052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).