tert-butyl 1-azaspiro[4.5]dec-6-ene-1-carboxylate

C14H23NO2 — CID 162400223

IUPACtert-butyl 1-azaspiro[4.5]dec-6-ene-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC12C=CCCC2
InChIInChI=1S/C14H23NO2/c1-13(2,3)17-12(16)15-11-7-10-14(15)8-5-4-6-9-14/h5,8H,4,6-7,9-11H2,1-3H3
InChIKeyVVKVHCTZJFWTSV-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.50
Rot. Bonds

About tert-butyl 1-azaspiro[4.5]dec-6-ene-1-carboxylate

tert-butyl 1-azaspiro[4.5]dec-6-ene-1-carboxylate (PubChem CID 162400223) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is tert-butyl 1-azaspiro[4.5]dec-6-ene-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-azaspiro[4.5]dec-6-ene-1-carboxylate
PubChem CID162400223
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nametert-butyl 1-azaspiro[4.5]dec-6-ene-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC12C=CCCC2
InChIInChI=1S/C14H23NO2/c1-13(2,3)17-12(16)15-11-7-10-14(15)8-5-4-6-9-14/h5,8H,4,6-7,9-11H2,1-3H3
InChIKeyVVKVHCTZJFWTSV-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 1-azaspiro[4.5]dec-6-ene-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

tert-Butyl 2-azabicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 15837921
Tert-butyl 9-azabicyclo[4.2.1]non-3-ene-9-carboxylate
CID 73001265
tert-butyl (1R,4S)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 10488092
Tert-butyl 7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 15411266
tert-butyl (2S,3S)-5-ethenyl-2,3-dimethylpyrrolidine-1-carboxylate
CID 90383963
tert-butyl (4S)-4-fluoro-2-[(1R)-5-fluorocyclohexa-2,4-dien-1-yl]pyrrolidine-1-carboxylate
CID 66694381
tert-butyl 2-[(1R)-5-fluorocyclohexa-2,4-dien-1-yl]pyrrolidine-1-carboxylate
CID 66695465
tert-butyl (2S)-2-[(E)-prop-1-enyl]pyrrolidine-1-carboxylate
CID 15201200
tert-butyl 2-[(E)-pent-1-enyl]pyrrolidine-1-carboxylate
CID 10399613
Tert-butyl 6-azaspiro[4.5]dec-2-ene-6-carboxylate
CID 12115262
1,1-Dimethylethyl 1-azaspiro(4.4)non-7-ene-1-carboxylate
CID 25156044
Tert-butyl 2-ethenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
CID 72785032

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-azaspiro[4.5]dec-6-ene-1-carboxylate?
The IUPAC name of tert-butyl 1-azaspiro[4.5]dec-6-ene-1-carboxylate (CID 162400223) is tert-butyl 1-azaspiro[4.5]dec-6-ene-1-carboxylate.
What is the SMILES notation for tert-butyl 1-azaspiro[4.5]dec-6-ene-1-carboxylate?
The canonical SMILES for tert-butyl 1-azaspiro[4.5]dec-6-ene-1-carboxylate is CC(C)(C)OC(=O)N1CCCC12C=CCCC2.
What is the InChIKey of tert-butyl 1-azaspiro[4.5]dec-6-ene-1-carboxylate?
The InChIKey is VVKVHCTZJFWTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-13(2,3)17-12(16)15-11-7-10-14(15)8-5-4-6-9-14/h5,8H,4,6-7,9-11H2,1-3H3.
What are the key properties of tert-butyl 1-azaspiro[4.5]dec-6-ene-1-carboxylate?
tert-butyl 1-azaspiro[4.5]dec-6-ene-1-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 1-azaspiro[4.5]dec-6-ene-1-carboxylate is sourced from PubChem (CID 162400223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).