4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid

C14H15N3O3 — CID 21102190

IUPAC4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)N=C(c1ccccc1)NC2=O
InChIInChI=1S/C14H15N3O3/c18-12-14(6-8-17(9-7-14)13(19)20)16-11(15-12)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,19,20)(H,15,16,18)
InChIKeyARNJSBGCIQCADU-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.08
Rot. Bonds1

About 4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid

4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid (PubChem CID 21102190) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid.

Molecular Properties

Compound Name4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid
PubChem CID21102190
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)N=C(c1ccccc1)NC2=O
InChIInChI=1S/C14H15N3O3/c18-12-14(6-8-17(9-7-14)13(19)20)16-11(15-12)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,19,20)(H,15,16,18)
InChIKeyARNJSBGCIQCADU-UHFFFAOYSA-N
XLogP1.08
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid?
The IUPAC name of 4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid (CID 21102190) is 4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid.
What is the SMILES notation for 4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid?
The canonical SMILES for 4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid is O=C(O)N1CCC2(CC1)N=C(c1ccccc1)NC2=O.
What is the InChIKey of 4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid?
The InChIKey is ARNJSBGCIQCADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-12-14(6-8-17(9-7-14)13(19)20)16-11(15-12)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,19,20)(H,15,16,18).
What are the key properties of 4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid?
4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid is sourced from PubChem (CID 21102190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).