1-methyl-2-oxo-1-azaspiro[4.5]dec-6-ene-9-carboxylic acid

C11H15NO3 — CID 23008749

IUPAC1-methyl-2-oxo-1-azaspiro[4.5]dec-6-ene-9-carboxylic acid
SMILESCN1C(=O)CCC12C=CCC(C(=O)O)C2
InChIInChI=1S/C11H15NO3/c1-12-9(13)4-6-11(12)5-2-3-8(7-11)10(14)15/h2,5,8H,3-4,6-7H2,1H3,(H,14,15)
InChIKeyLNXBUDTZHUQGGQ-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.03
Rot. Bonds1

About 1-methyl-2-oxo-1-azaspiro[4.5]dec-6-ene-9-carboxylic acid

1-methyl-2-oxo-1-azaspiro[4.5]dec-6-ene-9-carboxylic acid (PubChem CID 23008749) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 1-methyl-2-oxo-1-azaspiro[4.5]dec-6-ene-9-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-oxo-1-azaspiro[4.5]dec-6-ene-9-carboxylic acid
PubChem CID23008749
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name1-methyl-2-oxo-1-azaspiro[4.5]dec-6-ene-9-carboxylic acid
SMILESCN1C(=O)CCC12C=CCC(C(=O)O)C2
InChIInChI=1S/C11H15NO3/c1-12-9(13)4-6-11(12)5-2-3-8(7-11)10(14)15/h2,5,8H,3-4,6-7H2,1H3,(H,14,15)
InChIKeyLNXBUDTZHUQGGQ-UHFFFAOYSA-N
XLogP1.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 67113783
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CID 103550936
1-spiro[2.5]oct-7-en-5-ylethanone
CID 13097454
1-methyl-6-oxopiperidine-3-carboxylic acid
CID 25247731
2-oxocyclohexane-1,4-dicarboxylic acid
CID 141265494
1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122114279
5-oxo-1-(1-propan-2-ylcyclopropyl)pyrrolidine-3-carboxylic acid
CID 83703177
1-hydroxy-2,6-dimethyl-2,6-diphenylpiperidine-4-carboxylic acid
CID 22340196
6,6-dimethylpiperidine-1,3-dicarboxylic acid
CID 123690605
N-[1-(hydroxymethyl)cyclopropyl]cyclopent-3-ene-1-carboxamide
CID 115764739
1,5-dimethyl-5-methylsulfanylpyrrolidin-2-one
CID 126718947
3,3-dimethyl-4-oxocyclopentane-1-carboxylic acid
CID 567708

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-1-azaspiro[4.5]dec-6-ene-9-carboxylic acid?
The IUPAC name of 1-methyl-2-oxo-1-azaspiro[4.5]dec-6-ene-9-carboxylic acid (CID 23008749) is 1-methyl-2-oxo-1-azaspiro[4.5]dec-6-ene-9-carboxylic acid.
What is the SMILES notation for 1-methyl-2-oxo-1-azaspiro[4.5]dec-6-ene-9-carboxylic acid?
The canonical SMILES for 1-methyl-2-oxo-1-azaspiro[4.5]dec-6-ene-9-carboxylic acid is CN1C(=O)CCC12C=CCC(C(=O)O)C2.
What is the InChIKey of 1-methyl-2-oxo-1-azaspiro[4.5]dec-6-ene-9-carboxylic acid?
The InChIKey is LNXBUDTZHUQGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-12-9(13)4-6-11(12)5-2-3-8(7-11)10(14)15/h2,5,8H,3-4,6-7H2,1H3,(H,14,15).
What are the key properties of 1-methyl-2-oxo-1-azaspiro[4.5]dec-6-ene-9-carboxylic acid?
1-methyl-2-oxo-1-azaspiro[4.5]dec-6-ene-9-carboxylic acid has a molecular weight of 209.24 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-1-azaspiro[4.5]dec-6-ene-9-carboxylic acid is sourced from PubChem (CID 23008749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).