tert-butyl 9-oxo-6-azaspiro[4.5]decane-6-carboxylate

C14H23NO3 — CID 83679347

IUPACtert-butyl 9-oxo-6-azaspiro[4.5]decane-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)CC12CCCC2
InChIInChI=1S/C14H23NO3/c1-13(2,3)18-12(17)15-9-6-11(16)10-14(15)7-4-5-8-14/h4-10H2,1-3H3
InChIKeyNGUWEMOTUVJIMJ-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.90
Rot. Bonds

About tert-butyl 9-oxo-6-azaspiro[4.5]decane-6-carboxylate

tert-butyl 9-oxo-6-azaspiro[4.5]decane-6-carboxylate (PubChem CID 83679347) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is tert-butyl 9-oxo-6-azaspiro[4.5]decane-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 9-oxo-6-azaspiro[4.5]decane-6-carboxylate
PubChem CID83679347
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nametert-butyl 9-oxo-6-azaspiro[4.5]decane-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)CC12CCCC2
InChIInChI=1S/C14H23NO3/c1-13(2,3)18-12(17)15-9-6-11(16)10-14(15)7-4-5-8-14/h4-10H2,1-3H3
InChIKeyNGUWEMOTUVJIMJ-UHFFFAOYSA-N
XLogP2.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 9-oxo-6-azaspiro[4.5]decane-6-carboxylate?
The IUPAC name of tert-butyl 9-oxo-6-azaspiro[4.5]decane-6-carboxylate (CID 83679347) is tert-butyl 9-oxo-6-azaspiro[4.5]decane-6-carboxylate.
What is the SMILES notation for tert-butyl 9-oxo-6-azaspiro[4.5]decane-6-carboxylate?
The canonical SMILES for tert-butyl 9-oxo-6-azaspiro[4.5]decane-6-carboxylate is CC(C)(C)OC(=O)N1CCC(=O)CC12CCCC2.
What is the InChIKey of tert-butyl 9-oxo-6-azaspiro[4.5]decane-6-carboxylate?
The InChIKey is NGUWEMOTUVJIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-13(2,3)18-12(17)15-9-6-11(16)10-14(15)7-4-5-8-14/h4-10H2,1-3H3.
What are the key properties of tert-butyl 9-oxo-6-azaspiro[4.5]decane-6-carboxylate?
tert-butyl 9-oxo-6-azaspiro[4.5]decane-6-carboxylate has a molecular weight of 253.34 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 9-oxo-6-azaspiro[4.5]decane-6-carboxylate is sourced from PubChem (CID 83679347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).