tert-butyl 5-oxo-1-azaspiro[5.5]undecane-1-carboxylate

C15H25NO3 — CID 155821696

IUPACtert-butyl 5-oxo-1-azaspiro[5.5]undecane-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(=O)C12CCCCC2
InChIInChI=1S/C15H25NO3/c1-14(2,3)19-13(18)16-11-7-8-12(17)15(16)9-5-4-6-10-15/h4-11H2,1-3H3
InChIKeyJMFMCAQFPVFJTH-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.29
Rot. Bonds

About tert-butyl 5-oxo-1-azaspiro[5.5]undecane-1-carboxylate

tert-butyl 5-oxo-1-azaspiro[5.5]undecane-1-carboxylate (PubChem CID 155821696) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl 5-oxo-1-azaspiro[5.5]undecane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-oxo-1-azaspiro[5.5]undecane-1-carboxylate
PubChem CID155821696
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nametert-butyl 5-oxo-1-azaspiro[5.5]undecane-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(=O)C12CCCCC2
InChIInChI=1S/C15H25NO3/c1-14(2,3)19-13(18)16-11-7-8-12(17)15(16)9-5-4-6-10-15/h4-11H2,1-3H3
InChIKeyJMFMCAQFPVFJTH-UHFFFAOYSA-N
XLogP3.29
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-oxo-1-azaspiro[5.5]undecane-1-carboxylate?
The IUPAC name of tert-butyl 5-oxo-1-azaspiro[5.5]undecane-1-carboxylate (CID 155821696) is tert-butyl 5-oxo-1-azaspiro[5.5]undecane-1-carboxylate.
What is the SMILES notation for tert-butyl 5-oxo-1-azaspiro[5.5]undecane-1-carboxylate?
The canonical SMILES for tert-butyl 5-oxo-1-azaspiro[5.5]undecane-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(=O)C12CCCCC2.
What is the InChIKey of tert-butyl 5-oxo-1-azaspiro[5.5]undecane-1-carboxylate?
The InChIKey is JMFMCAQFPVFJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-14(2,3)19-13(18)16-11-7-8-12(17)15(16)9-5-4-6-10-15/h4-11H2,1-3H3.
What are the key properties of tert-butyl 5-oxo-1-azaspiro[5.5]undecane-1-carboxylate?
tert-butyl 5-oxo-1-azaspiro[5.5]undecane-1-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-oxo-1-azaspiro[5.5]undecane-1-carboxylate is sourced from PubChem (CID 155821696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).