tert-butyl 8-methylidene-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate

C13H21NO3 — CID 170986746

IUPACtert-butyl 8-methylidene-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate
SMILESC=C1CCOC2(C1)CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C13H21NO3/c1-10-5-6-16-13(7-10)8-14(9-13)11(15)17-12(2,3)4/h1,5-9H2,2-4H3
InChIKeyBVPHJIDVJZHUNQ-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.34
Rot. Bonds

About tert-butyl 8-methylidene-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate

tert-butyl 8-methylidene-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate (PubChem CID 170986746) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is tert-butyl 8-methylidene-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-methylidene-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate
PubChem CID170986746
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Nametert-butyl 8-methylidene-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate
SMILESC=C1CCOC2(C1)CN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C13H21NO3/c1-10-5-6-16-13(7-10)8-14(9-13)11(15)17-12(2,3)4/h1,5-9H2,2-4H3
InChIKeyBVPHJIDVJZHUNQ-UHFFFAOYSA-N
XLogP2.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 8-hydroxy-8-methyl-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate
CID 155891545
tert-butyl 8-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CID 99114871
tert-butyl 8-methyl-5-oxa-2-azaspiro[3.5]non-7-ene-2-carboxylate
CID 146273012
tert-butyl 9-oxo-1-oxa-4-azaspiro[5.5]undecane-4-carboxylate
CID 71305766
tert-butyl 4-methylidenepiperidine-1-carboxylate
CID 2756808
tert-butyl 3-methylideneazetidine-1-carboxylate
CID 55269097
tert-butyl 2,2-dimethyl-6-methylidene-1,4-oxazepane-4-carboxylate
CID 89172844
tert-butyl 2-tert-butyl-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 170651649
ditert-butyl 6-methylidene-1,4-diazepane-1,4-dicarboxylate
CID 71305475
tert-butyl 7-hydroxy-7-phenyl-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CID 134231147
tert-butyl 3-(1-iodoethenyl)-3-methylazetidine-1-carboxylate
CID 90219761
tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-2-carboxylate
CID 82386799

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-methylidene-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate?
The IUPAC name of tert-butyl 8-methylidene-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate (CID 170986746) is tert-butyl 8-methylidene-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate.
What is the SMILES notation for tert-butyl 8-methylidene-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate?
The canonical SMILES for tert-butyl 8-methylidene-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate is C=C1CCOC2(C1)CN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl 8-methylidene-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate?
The InChIKey is BVPHJIDVJZHUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-10-5-6-16-13(7-10)8-14(9-13)11(15)17-12(2,3)4/h1,5-9H2,2-4H3.
What are the key properties of tert-butyl 8-methylidene-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate?
tert-butyl 8-methylidene-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate has a molecular weight of 239.31 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-methylidene-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate is sourced from PubChem (CID 170986746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).