tert-butyl (5R)-1-azaspiro[4.4]non-8-ene-1-carboxylate

C13H21NO2 — CID 25112313

IUPACtert-butyl (5R)-1-azaspiro[4.4]non-8-ene-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@]12C=CCC2
InChIInChI=1S/C13H21NO2/c1-12(2,3)16-11(15)14-10-6-9-13(14)7-4-5-8-13/h4,7H,5-6,8-10H2,1-3H3/t13-/m1/s1
InChIKeyJBZKZOCBPISJPT-CYBMUJFWSA-N
MW223.32 g/mol
LogP3.11
Rot. Bonds

About tert-butyl (5R)-1-azaspiro[4.4]non-8-ene-1-carboxylate

tert-butyl (5R)-1-azaspiro[4.4]non-8-ene-1-carboxylate (PubChem CID 25112313) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is tert-butyl (5R)-1-azaspiro[4.4]non-8-ene-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (5R)-1-azaspiro[4.4]non-8-ene-1-carboxylate
PubChem CID25112313
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Nametert-butyl (5R)-1-azaspiro[4.4]non-8-ene-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@]12C=CCC2
InChIInChI=1S/C13H21NO2/c1-12(2,3)16-11(15)14-10-6-9-13(14)7-4-5-8-13/h4,7H,5-6,8-10H2,1-3H3/t13-/m1/s1
InChIKeyJBZKZOCBPISJPT-CYBMUJFWSA-N
XLogP3.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (5R)-1-azaspiro[4.4]non-8-ene-1-carboxylate?
The IUPAC name of tert-butyl (5R)-1-azaspiro[4.4]non-8-ene-1-carboxylate (CID 25112313) is tert-butyl (5R)-1-azaspiro[4.4]non-8-ene-1-carboxylate.
What is the SMILES notation for tert-butyl (5R)-1-azaspiro[4.4]non-8-ene-1-carboxylate?
The canonical SMILES for tert-butyl (5R)-1-azaspiro[4.4]non-8-ene-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@]12C=CCC2.
What is the InChIKey of tert-butyl (5R)-1-azaspiro[4.4]non-8-ene-1-carboxylate?
The InChIKey is JBZKZOCBPISJPT-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H21NO2/c1-12(2,3)16-11(15)14-10-6-9-13(14)7-4-5-8-13/h4,7H,5-6,8-10H2,1-3H3/t13-/m1/s1.
What are the key properties of tert-butyl (5R)-1-azaspiro[4.4]non-8-ene-1-carboxylate?
tert-butyl (5R)-1-azaspiro[4.4]non-8-ene-1-carboxylate has a molecular weight of 223.32 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5R)-1-azaspiro[4.4]non-8-ene-1-carboxylate is sourced from PubChem (CID 25112313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).