tert-butyl 6-azaspiro[4.5]dec-8-ene-6-carboxylate

C14H23NO2 — CID 102008634

IUPACtert-butyl 6-azaspiro[4.5]dec-8-ene-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=CCC12CCCC2
InChIInChI=1S/C14H23NO2/c1-13(2,3)17-12(16)15-11-7-6-10-14(15)8-4-5-9-14/h6-7H,4-5,8-11H2,1-3H3
InChIKeyHETNNWOPGXPDMA-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.50
Rot. Bonds

About tert-butyl 6-azaspiro[4.5]dec-8-ene-6-carboxylate

tert-butyl 6-azaspiro[4.5]dec-8-ene-6-carboxylate (PubChem CID 102008634) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is tert-butyl 6-azaspiro[4.5]dec-8-ene-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-azaspiro[4.5]dec-8-ene-6-carboxylate
PubChem CID102008634
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nametert-butyl 6-azaspiro[4.5]dec-8-ene-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=CCC12CCCC2
InChIInChI=1S/C14H23NO2/c1-13(2,3)17-12(16)15-11-7-6-10-14(15)8-4-5-9-14/h6-7H,4-5,8-11H2,1-3H3
InChIKeyHETNNWOPGXPDMA-UHFFFAOYSA-N
XLogP3.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl 6-azaspiro[4.5]dec-8-ene-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-azaspiro[4.5]dec-8-ene-6-carboxylate?
The IUPAC name of tert-butyl 6-azaspiro[4.5]dec-8-ene-6-carboxylate (CID 102008634) is tert-butyl 6-azaspiro[4.5]dec-8-ene-6-carboxylate.
What is the SMILES notation for tert-butyl 6-azaspiro[4.5]dec-8-ene-6-carboxylate?
The canonical SMILES for tert-butyl 6-azaspiro[4.5]dec-8-ene-6-carboxylate is CC(C)(C)OC(=O)N1CC=CCC12CCCC2.
What is the InChIKey of tert-butyl 6-azaspiro[4.5]dec-8-ene-6-carboxylate?
The InChIKey is HETNNWOPGXPDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-13(2,3)17-12(16)15-11-7-6-10-14(15)8-4-5-9-14/h6-7H,4-5,8-11H2,1-3H3.
What are the key properties of tert-butyl 6-azaspiro[4.5]dec-8-ene-6-carboxylate?
tert-butyl 6-azaspiro[4.5]dec-8-ene-6-carboxylate has a molecular weight of 237.34 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-azaspiro[4.5]dec-8-ene-6-carboxylate is sourced from PubChem (CID 102008634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).