8-phenyl-6,8-diazaspiro[3.5]nonane-5,7,9-trione

C13H12N2O3 — CID 112598541

IUPAC8-phenyl-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESO=C1NC(=O)C2(CCC2)C(=O)N1c1ccccc1
InChIInChI=1S/C13H12N2O3/c16-10-13(7-4-8-13)11(17)15(12(18)14-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,14,16,18)
InChIKeySTFPGIPUOSBIDO-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.44
Rot. Bonds1

About 8-phenyl-6,8-diazaspiro[3.5]nonane-5,7,9-trione

8-phenyl-6,8-diazaspiro[3.5]nonane-5,7,9-trione (PubChem CID 112598541) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 8-phenyl-6,8-diazaspiro[3.5]nonane-5,7,9-trione.

Molecular Properties

Compound Name8-phenyl-6,8-diazaspiro[3.5]nonane-5,7,9-trione
PubChem CID112598541
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name8-phenyl-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESO=C1NC(=O)C2(CCC2)C(=O)N1c1ccccc1
InChIInChI=1S/C13H12N2O3/c16-10-13(7-4-8-13)11(17)15(12(18)14-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,14,16,18)
InChIKeySTFPGIPUOSBIDO-UHFFFAOYSA-N
XLogP1.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

8-(3-chlorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112598235
9-(3-chlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115945669
8-(3-methylsulfanylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115946109
8-(3-bromo-4-methylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115948202
9-(3-bromo-4-methylphenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115948201
8-(3-bromo-4-chlorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115948707
7-(4-propan-2-ylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115946177
9-(2,6-dichlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115948372
7-(3-ethylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598589
9-(6-methyl-3-pyridinyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115948843
9-(4-bromo-3-methylphenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115946332
7-(2,3-dihydro-1H-inden-5-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115946320

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The IUPAC name of 8-phenyl-6,8-diazaspiro[3.5]nonane-5,7,9-trione (CID 112598541) is 8-phenyl-6,8-diazaspiro[3.5]nonane-5,7,9-trione.
What is the SMILES notation for 8-phenyl-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The canonical SMILES for 8-phenyl-6,8-diazaspiro[3.5]nonane-5,7,9-trione is O=C1NC(=O)C2(CCC2)C(=O)N1c1ccccc1.
What is the InChIKey of 8-phenyl-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The InChIKey is STFPGIPUOSBIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-10-13(7-4-8-13)11(17)15(12(18)14-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,14,16,18).
What are the key properties of 8-phenyl-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
8-phenyl-6,8-diazaspiro[3.5]nonane-5,7,9-trione has a molecular weight of 244.25 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-6,8-diazaspiro[3.5]nonane-5,7,9-trione is sourced from PubChem (CID 112598541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).