9-oxo-2-azaspiro[4.4]non-7-ene-2-carboxylic acid

C9H11NO3 — CID 118173807

IUPAC9-oxo-2-azaspiro[4.4]non-7-ene-2-carboxylic acid
SMILESO=C(O)N1CCC2(CC=CC2=O)C1
InChIInChI=1S/C9H11NO3/c11-7-2-1-3-9(7)4-5-10(6-9)8(12)13/h1-2H,3-6H2,(H,12,13)
InChIKeyPNLNBRUIMGAKFP-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.89
Rot. Bonds

About 9-oxo-2-azaspiro[4.4]non-7-ene-2-carboxylic acid

9-oxo-2-azaspiro[4.4]non-7-ene-2-carboxylic acid (PubChem CID 118173807) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 9-oxo-2-azaspiro[4.4]non-7-ene-2-carboxylic acid.

Molecular Properties

Compound Name9-oxo-2-azaspiro[4.4]non-7-ene-2-carboxylic acid
PubChem CID118173807
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name9-oxo-2-azaspiro[4.4]non-7-ene-2-carboxylic acid
SMILESO=C(O)N1CCC2(CC=CC2=O)C1
InChIInChI=1S/C9H11NO3/c11-7-2-1-3-9(7)4-5-10(6-9)8(12)13/h1-2H,3-6H2,(H,12,13)
InChIKeyPNLNBRUIMGAKFP-UHFFFAOYSA-N
XLogP0.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-oxo-2-azaspiro[4.4]non-7-ene-2-carboxylic acid?
The IUPAC name of 9-oxo-2-azaspiro[4.4]non-7-ene-2-carboxylic acid (CID 118173807) is 9-oxo-2-azaspiro[4.4]non-7-ene-2-carboxylic acid.
What is the SMILES notation for 9-oxo-2-azaspiro[4.4]non-7-ene-2-carboxylic acid?
The canonical SMILES for 9-oxo-2-azaspiro[4.4]non-7-ene-2-carboxylic acid is O=C(O)N1CCC2(CC=CC2=O)C1.
What is the InChIKey of 9-oxo-2-azaspiro[4.4]non-7-ene-2-carboxylic acid?
The InChIKey is PNLNBRUIMGAKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c11-7-2-1-3-9(7)4-5-10(6-9)8(12)13/h1-2H,3-6H2,(H,12,13).
What are the key properties of 9-oxo-2-azaspiro[4.4]non-7-ene-2-carboxylic acid?
9-oxo-2-azaspiro[4.4]non-7-ene-2-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-2-azaspiro[4.4]non-7-ene-2-carboxylic acid is sourced from PubChem (CID 118173807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).