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

C10H15NO3 — CID 165477849

IUPAC7-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
SMILESCC1CCCC2(CC(C(=O)O)=NO2)C1
InChIInChI=1S/C10H15NO3/c1-7-3-2-4-10(5-7)6-8(9(12)13)11-14-10/h7H,2-6H2,1H3,(H,12,13)
InChIKeyBNGPYXXXUWBBNO-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.80
Rot. Bonds1

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

7-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid (PubChem CID 165477849) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 7-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid.

Molecular Properties

Compound Name7-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
PubChem CID165477849
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name7-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
SMILESCC1CCCC2(CC(C(=O)O)=NO2)C1
InChIInChI=1S/C10H15NO3/c1-7-3-2-4-10(5-7)6-8(9(12)13)11-14-10/h7H,2-6H2,1H3,(H,12,13)
InChIKeyBNGPYXXXUWBBNO-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 7-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
The IUPAC name of 7-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid (CID 165477849) is 7-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid.
What is the SMILES notation for 7-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
The canonical SMILES for 7-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid is CC1CCCC2(CC(C(=O)O)=NO2)C1.
What is the InChIKey of 7-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
The InChIKey is BNGPYXXXUWBBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7-3-2-4-10(5-7)6-8(9(12)13)11-14-10/h7H,2-6H2,1H3,(H,12,13).
What are the key properties of 7-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
7-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 7-methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid is sourced from PubChem (CID 165477849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).