4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxylic acid

C9H12N2O3 — CID 134069838

IUPAC4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxylic acid
SMILESO=C(O)C1CCC2(CC1)N=CNC2=O
InChIInChI=1S/C9H12N2O3/c12-7(13)6-1-3-9(4-2-6)8(14)10-5-11-9/h5-6H,1-4H2,(H,12,13)(H,10,11,14)
InChIKeyNMFGNCHXWPZIQJ-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.16
Rot. Bonds1

About 4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxylic acid

4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxylic acid (PubChem CID 134069838) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxylic acid
PubChem CID134069838
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxylic acid
SMILESO=C(O)C1CCC2(CC1)N=CNC2=O
InChIInChI=1S/C9H12N2O3/c12-7(13)6-1-3-9(4-2-6)8(14)10-5-11-9/h5-6H,1-4H2,(H,12,13)(H,10,11,14)
InChIKeyNMFGNCHXWPZIQJ-UHFFFAOYSA-N
XLogP0.16
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxylic acid?
The IUPAC name of 4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxylic acid (CID 134069838) is 4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxylic acid.
What is the SMILES notation for 4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxylic acid?
The canonical SMILES for 4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxylic acid is O=C(O)C1CCC2(CC1)N=CNC2=O.
What is the InChIKey of 4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxylic acid?
The InChIKey is NMFGNCHXWPZIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-7(13)6-1-3-9(4-2-6)8(14)10-5-11-9/h5-6H,1-4H2,(H,12,13)(H,10,11,14).
What are the key properties of 4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxylic acid?
4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1,3-diazaspiro[4.5]dec-1-ene-8-carboxylic acid is sourced from PubChem (CID 134069838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).