tert-butyl 9-azaspiro[4.5]dec-1-ene-4-carboxylate

C14H23NO2 — CID 70283482

IUPACtert-butyl 9-azaspiro[4.5]dec-1-ene-4-carboxylate
SMILESCC(C)(C)OC(=O)C1CC=CC12CCCNC2
InChIInChI=1S/C14H23NO2/c1-13(2,3)17-12(16)11-6-4-7-14(11)8-5-9-15-10-14/h4,7,11,15H,5-6,8-10H2,1-3H3
InChIKeyZBEUPFAAINZANO-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.27
Rot. Bonds1

About tert-butyl 9-azaspiro[4.5]dec-1-ene-4-carboxylate

tert-butyl 9-azaspiro[4.5]dec-1-ene-4-carboxylate (PubChem CID 70283482) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is tert-butyl 9-azaspiro[4.5]dec-1-ene-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 9-azaspiro[4.5]dec-1-ene-4-carboxylate
PubChem CID70283482
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nametert-butyl 9-azaspiro[4.5]dec-1-ene-4-carboxylate
SMILESCC(C)(C)OC(=O)C1CC=CC12CCCNC2
InChIInChI=1S/C14H23NO2/c1-13(2,3)17-12(16)11-6-4-7-14(11)8-5-9-15-10-14/h4,7,11,15H,5-6,8-10H2,1-3H3
InChIKeyZBEUPFAAINZANO-UHFFFAOYSA-N
XLogP2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 9-azaspiro[4.5]dec-1-ene-4-carboxylate?
The IUPAC name of tert-butyl 9-azaspiro[4.5]dec-1-ene-4-carboxylate (CID 70283482) is tert-butyl 9-azaspiro[4.5]dec-1-ene-4-carboxylate.
What is the SMILES notation for tert-butyl 9-azaspiro[4.5]dec-1-ene-4-carboxylate?
The canonical SMILES for tert-butyl 9-azaspiro[4.5]dec-1-ene-4-carboxylate is CC(C)(C)OC(=O)C1CC=CC12CCCNC2.
What is the InChIKey of tert-butyl 9-azaspiro[4.5]dec-1-ene-4-carboxylate?
The InChIKey is ZBEUPFAAINZANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-13(2,3)17-12(16)11-6-4-7-14(11)8-5-9-15-10-14/h4,7,11,15H,5-6,8-10H2,1-3H3.
What are the key properties of tert-butyl 9-azaspiro[4.5]dec-1-ene-4-carboxylate?
tert-butyl 9-azaspiro[4.5]dec-1-ene-4-carboxylate has a molecular weight of 237.34 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 9-azaspiro[4.5]dec-1-ene-4-carboxylate is sourced from PubChem (CID 70283482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).