6-oxo-7-azaspiro[4.5]dec-2-ene-7-carboxylic acid

C10H13NO3 — CID 118173852

IUPAC6-oxo-7-azaspiro[4.5]dec-2-ene-7-carboxylic acid
SMILESO=C(O)N1CCCC2(CC=CC2)C1=O
InChIInChI=1S/C10H13NO3/c12-8-10(4-1-2-5-10)6-3-7-11(8)9(13)14/h1-2H,3-7H2,(H,13,14)
InChIKeyWCDLXNIYSJBAQV-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.62
Rot. Bonds

About 6-oxo-7-azaspiro[4.5]dec-2-ene-7-carboxylic acid

6-oxo-7-azaspiro[4.5]dec-2-ene-7-carboxylic acid (PubChem CID 118173852) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 6-oxo-7-azaspiro[4.5]dec-2-ene-7-carboxylic acid.

Molecular Properties

Compound Name6-oxo-7-azaspiro[4.5]dec-2-ene-7-carboxylic acid
PubChem CID118173852
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name6-oxo-7-azaspiro[4.5]dec-2-ene-7-carboxylic acid
SMILESO=C(O)N1CCCC2(CC=CC2)C1=O
InChIInChI=1S/C10H13NO3/c12-8-10(4-1-2-5-10)6-3-7-11(8)9(13)14/h1-2H,3-7H2,(H,13,14)
InChIKeyWCDLXNIYSJBAQV-UHFFFAOYSA-N
XLogP1.62
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-7-azaspiro[4.5]dec-2-ene-7-carboxylic acid?
The IUPAC name of 6-oxo-7-azaspiro[4.5]dec-2-ene-7-carboxylic acid (CID 118173852) is 6-oxo-7-azaspiro[4.5]dec-2-ene-7-carboxylic acid.
What is the SMILES notation for 6-oxo-7-azaspiro[4.5]dec-2-ene-7-carboxylic acid?
The canonical SMILES for 6-oxo-7-azaspiro[4.5]dec-2-ene-7-carboxylic acid is O=C(O)N1CCCC2(CC=CC2)C1=O.
What is the InChIKey of 6-oxo-7-azaspiro[4.5]dec-2-ene-7-carboxylic acid?
The InChIKey is WCDLXNIYSJBAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c12-8-10(4-1-2-5-10)6-3-7-11(8)9(13)14/h1-2H,3-7H2,(H,13,14).
What are the key properties of 6-oxo-7-azaspiro[4.5]dec-2-ene-7-carboxylic acid?
6-oxo-7-azaspiro[4.5]dec-2-ene-7-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-7-azaspiro[4.5]dec-2-ene-7-carboxylic acid is sourced from PubChem (CID 118173852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).