tert-butyl 8-oxo-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate

C11H17NO5 — CID 68767762

IUPACtert-butyl 8-oxo-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CC1=O)OCCO2
InChIInChI=1S/C11H17NO5/c1-10(2,3)17-9(14)12-7-11(6-8(12)13)15-4-5-16-11/h4-7H2,1-3H3
InChIKeyYEKHAOUEWYFTAI-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.90
Rot. Bonds

About tert-butyl 8-oxo-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate

tert-butyl 8-oxo-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate (PubChem CID 68767762) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is tert-butyl 8-oxo-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-oxo-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate
PubChem CID68767762
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Nametert-butyl 8-oxo-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CC1=O)OCCO2
InChIInChI=1S/C11H17NO5/c1-10(2,3)17-9(14)12-7-11(6-8(12)13)15-4-5-16-11/h4-7H2,1-3H3
InChIKeyYEKHAOUEWYFTAI-UHFFFAOYSA-N
XLogP0.90
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-oxo-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate?
The IUPAC name of tert-butyl 8-oxo-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate (CID 68767762) is tert-butyl 8-oxo-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 8-oxo-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 8-oxo-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate is CC(C)(C)OC(=O)N1CC2(CC1=O)OCCO2.
What is the InChIKey of tert-butyl 8-oxo-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate?
The InChIKey is YEKHAOUEWYFTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-10(2,3)17-9(14)12-7-11(6-8(12)13)15-4-5-16-11/h4-7H2,1-3H3.
What are the key properties of tert-butyl 8-oxo-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate?
tert-butyl 8-oxo-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate has a molecular weight of 243.26 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-oxo-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate is sourced from PubChem (CID 68767762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).