ethyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

C11H17NO4 — CID 10082452

IUPACethyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)CC(=O)CO2
InChIInChI=1S/C11H17NO4/c1-2-15-10(14)12-5-3-11(4-6-12)7-9(13)8-16-11/h2-8H2,1H3
InChIKeyZCWBLKIIAKJXBH-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.97
Rot. Bonds1

About ethyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

ethyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 10082452) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is ethyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nameethyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID10082452
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Nameethyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)N1CCC2(CC1)CC(=O)CO2
InChIInChI=1S/C11H17NO4/c1-2-15-10(14)12-5-3-11(4-6-12)7-9(13)8-16-11/h2-8H2,1H3
InChIKeyZCWBLKIIAKJXBH-UHFFFAOYSA-N
XLogP0.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of ethyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (CID 10082452) is ethyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for ethyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for ethyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is CCOC(=O)N1CCC2(CC1)CC(=O)CO2.
What is the InChIKey of ethyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is ZCWBLKIIAKJXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-2-15-10(14)12-5-3-11(4-6-12)7-9(13)8-16-11/h2-8H2,1H3.
What are the key properties of ethyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
ethyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 10082452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).