ethyl 1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate

C11H17NO3 — CID 59280111

IUPACethyl 1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate
SMILESCCOC(=O)C1=NOC2(CCCCC2)C1
InChIInChI=1S/C11H17NO3/c1-2-14-10(13)9-8-11(15-12-9)6-4-3-5-7-11/h2-8H2,1H3
InChIKeyKNTMLCGAAQJEQZ-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.03
Rot. Bonds2

About ethyl 1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate

ethyl 1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate (PubChem CID 59280111) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl 1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate
PubChem CID59280111
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameethyl 1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate
SMILESCCOC(=O)C1=NOC2(CCCCC2)C1
InChIInChI=1S/C11H17NO3/c1-2-14-10(13)9-8-11(15-12-9)6-4-3-5-7-11/h2-8H2,1H3
InChIKeyKNTMLCGAAQJEQZ-UHFFFAOYSA-N
XLogP2.03
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate?
The IUPAC name of ethyl 1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate (CID 59280111) is ethyl 1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate.
What is the SMILES notation for ethyl 1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate?
The canonical SMILES for ethyl 1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate is CCOC(=O)C1=NOC2(CCCCC2)C1.
What is the InChIKey of ethyl 1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate?
The InChIKey is KNTMLCGAAQJEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-14-10(13)9-8-11(15-12-9)6-4-3-5-7-11/h2-8H2,1H3.
What are the key properties of ethyl 1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate?
ethyl 1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate is sourced from PubChem (CID 59280111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).