tert-butyl (7E)-7-hydroxyimino-5-azaspiro[2.4]heptane-5-carboxylate

C11H18N2O3 — CID 11390503

IUPACtert-butyl (7E)-7-hydroxyimino-5-azaspiro[2.4]heptane-5-carboxylate
SMILESCC(C)(C)OC(=O)N1C/C(=N/O)C2(CC2)C1
InChIInChI=1S/C11H18N2O3/c1-10(2,3)16-9(14)13-6-8(12-15)11(7-13)4-5-11/h15H,4-7H2,1-3H3/b12-8-
InChIKeyLWZPJTHZKRMATL-WQLSENKSSA-N
MW226.28 g/mol
LogP1.85
Rot. Bonds

About tert-butyl (7E)-7-hydroxyimino-5-azaspiro[2.4]heptane-5-carboxylate

tert-butyl (7E)-7-hydroxyimino-5-azaspiro[2.4]heptane-5-carboxylate (PubChem CID 11390503) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is tert-butyl (7E)-7-hydroxyimino-5-azaspiro[2.4]heptane-5-carboxylate.

Molecular Properties

Compound Nametert-butyl (7E)-7-hydroxyimino-5-azaspiro[2.4]heptane-5-carboxylate
PubChem CID11390503
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Nametert-butyl (7E)-7-hydroxyimino-5-azaspiro[2.4]heptane-5-carboxylate
SMILESCC(C)(C)OC(=O)N1C/C(=N/O)C2(CC2)C1
InChIInChI=1S/C11H18N2O3/c1-10(2,3)16-9(14)13-6-8(12-15)11(7-13)4-5-11/h15H,4-7H2,1-3H3/b12-8-
InChIKeyLWZPJTHZKRMATL-WQLSENKSSA-N
XLogP1.85
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (5Z)-5-hydroxyimino-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 126662052
tert-butyl 7-oxo-5-azaspiro[2.5]octane-5-carboxylate
CID 131407351
tert-butyl (3E)-3-hydroxyiminopyrrolidine-1-carboxylate
CID 22849736
tert-butyl 3-hydroxyiminopyrrolidine-1-carboxylate
CID 70701179
tert-butyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 82387927
tert-butyl 5-oxo-2-azaspiro[3.5]non-6-ene-2-carboxylate
CID 176544846
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 86326950
tert-butyl 6-(dimethylhydrazinylidene)-2-azaspiro[3.3]heptane-2-carboxylate
CID 168975531
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
tert-butyl 3,3-dimethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 59373529
tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate
CID 45074355
tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 86330800

Frequently Asked Questions

What is the IUPAC name of tert-butyl (7E)-7-hydroxyimino-5-azaspiro[2.4]heptane-5-carboxylate?
The IUPAC name of tert-butyl (7E)-7-hydroxyimino-5-azaspiro[2.4]heptane-5-carboxylate (CID 11390503) is tert-butyl (7E)-7-hydroxyimino-5-azaspiro[2.4]heptane-5-carboxylate.
What is the SMILES notation for tert-butyl (7E)-7-hydroxyimino-5-azaspiro[2.4]heptane-5-carboxylate?
The canonical SMILES for tert-butyl (7E)-7-hydroxyimino-5-azaspiro[2.4]heptane-5-carboxylate is CC(C)(C)OC(=O)N1C/C(=N/O)C2(CC2)C1.
What is the InChIKey of tert-butyl (7E)-7-hydroxyimino-5-azaspiro[2.4]heptane-5-carboxylate?
The InChIKey is LWZPJTHZKRMATL-WQLSENKSSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-10(2,3)16-9(14)13-6-8(12-15)11(7-13)4-5-11/h15H,4-7H2,1-3H3/b12-8-.
What are the key properties of tert-butyl (7E)-7-hydroxyimino-5-azaspiro[2.4]heptane-5-carboxylate?
tert-butyl (7E)-7-hydroxyimino-5-azaspiro[2.4]heptane-5-carboxylate has a molecular weight of 226.28 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (7E)-7-hydroxyimino-5-azaspiro[2.4]heptane-5-carboxylate is sourced from PubChem (CID 11390503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).