7-ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid

C11H17NO3 — CID 165470519

IUPAC7-ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
SMILESCCC1CCCC2(CC(C(=O)O)=NO2)C1
InChIInChI=1S/C11H17NO3/c1-2-8-4-3-5-11(6-8)7-9(10(13)14)12-15-11/h8H,2-7H2,1H3,(H,13,14)
InChIKeyYSOSCTFYSJXWKA-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.19
Rot. Bonds2

About 7-ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid

7-ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid (PubChem CID 165470519) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 7-ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid.

Molecular Properties

Compound Name7-ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
PubChem CID165470519
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name7-ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
SMILESCCC1CCCC2(CC(C(=O)O)=NO2)C1
InChIInChI=1S/C11H17NO3/c1-2-8-4-3-5-11(6-8)7-9(10(13)14)12-15-11/h8H,2-7H2,1H3,(H,13,14)
InChIKeyYSOSCTFYSJXWKA-UHFFFAOYSA-N
XLogP2.19
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
The IUPAC name of 7-ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid (CID 165470519) is 7-ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid.
What is the SMILES notation for 7-ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
The canonical SMILES for 7-ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid is CCC1CCCC2(CC(C(=O)O)=NO2)C1.
What is the InChIKey of 7-ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
The InChIKey is YSOSCTFYSJXWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-8-4-3-5-11(6-8)7-9(10(13)14)12-15-11/h8H,2-7H2,1H3,(H,13,14).
What are the key properties of 7-ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
7-ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid is sourced from PubChem (CID 165470519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).