tert-butyl 4-methylidene-8-azaspiro[4.5]dec-2-ene-8-carboxylate

C15H23NO2 — CID 146542247

IUPACtert-butyl 4-methylidene-8-azaspiro[4.5]dec-2-ene-8-carboxylate
SMILESC=C1C=CCC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C15H23NO2/c1-12-6-5-7-15(12)8-10-16(11-9-15)13(17)18-14(2,3)4/h5-6H,1,7-11H2,2-4H3
InChIKeyQWOFLBQIAJESLT-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.52
Rot. Bonds

About tert-butyl 4-methylidene-8-azaspiro[4.5]dec-2-ene-8-carboxylate

tert-butyl 4-methylidene-8-azaspiro[4.5]dec-2-ene-8-carboxylate (PubChem CID 146542247) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is tert-butyl 4-methylidene-8-azaspiro[4.5]dec-2-ene-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methylidene-8-azaspiro[4.5]dec-2-ene-8-carboxylate
PubChem CID146542247
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nametert-butyl 4-methylidene-8-azaspiro[4.5]dec-2-ene-8-carboxylate
SMILESC=C1C=CCC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C15H23NO2/c1-12-6-5-7-15(12)8-10-16(11-9-15)13(17)18-14(2,3)4/h5-6H,1,7-11H2,2-4H3
InChIKeyQWOFLBQIAJESLT-UHFFFAOYSA-N
XLogP3.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate
CID 146553615
tert-butyl 4,4-difluoro-5-methylideneazepane-1-carboxylate
CID 138039661
tert-butyl 3-oxospiro[4,5-dihydro-2H-indene-1,4'-piperidine]-1'-carboxylate
CID 22070693
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 4-methylidenepiperidine-1-carboxylate
CID 2756808
tert-butyl 9-methyl-11-oxo-3-azaspiro[5.5]undec-9-ene-3-carboxylate
CID 177462092
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl (1R)-1-amino-7-chlorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 96530626
4-(2,5-dioxopyrrol-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 134249561
tert-butyl 5-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 82379509
tert-butyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 14371816

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methylidene-8-azaspiro[4.5]dec-2-ene-8-carboxylate?
The IUPAC name of tert-butyl 4-methylidene-8-azaspiro[4.5]dec-2-ene-8-carboxylate (CID 146542247) is tert-butyl 4-methylidene-8-azaspiro[4.5]dec-2-ene-8-carboxylate.
What is the SMILES notation for tert-butyl 4-methylidene-8-azaspiro[4.5]dec-2-ene-8-carboxylate?
The canonical SMILES for tert-butyl 4-methylidene-8-azaspiro[4.5]dec-2-ene-8-carboxylate is C=C1C=CCC12CCN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl 4-methylidene-8-azaspiro[4.5]dec-2-ene-8-carboxylate?
The InChIKey is QWOFLBQIAJESLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-6-5-7-15(12)8-10-16(11-9-15)13(17)18-14(2,3)4/h5-6H,1,7-11H2,2-4H3.
What are the key properties of tert-butyl 4-methylidene-8-azaspiro[4.5]dec-2-ene-8-carboxylate?
tert-butyl 4-methylidene-8-azaspiro[4.5]dec-2-ene-8-carboxylate has a molecular weight of 249.35 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methylidene-8-azaspiro[4.5]dec-2-ene-8-carboxylate is sourced from PubChem (CID 146542247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).