8-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid

C10H15NO3 — CID 165477798

IUPAC8-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
SMILESCC1CCC2(CC1)CC(C(=O)O)=NO2
InChIInChI=1S/C10H15NO3/c1-7-2-4-10(5-3-7)6-8(9(12)13)11-14-10/h7H,2-6H2,1H3,(H,12,13)
InChIKeyJSIQHYIEGDHPET-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.80
Rot. Bonds1

About 8-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid

8-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid (PubChem CID 165477798) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 8-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid.

Molecular Properties

Compound Name8-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
PubChem CID165477798
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name8-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
SMILESCC1CCC2(CC1)CC(C(=O)O)=NO2
InChIInChI=1S/C10H15NO3/c1-7-2-4-10(5-3-7)6-8(9(12)13)11-14-10/h7H,2-6H2,1H3,(H,12,13)
InChIKeyJSIQHYIEGDHPET-UHFFFAOYSA-N
XLogP1.80
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
The IUPAC name of 8-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid (CID 165477798) is 8-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid.
What is the SMILES notation for 8-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
The canonical SMILES for 8-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid is CC1CCC2(CC1)CC(C(=O)O)=NO2.
What is the InChIKey of 8-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
The InChIKey is JSIQHYIEGDHPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7-2-4-10(5-3-7)6-8(9(12)13)11-14-10/h7H,2-6H2,1H3,(H,12,13).
What are the key properties of 8-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
8-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid is sourced from PubChem (CID 165477798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).