9-(3-chlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione

C14H13ClN2O3 — CID 115945669

IUPAC9-(3-chlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESO=C1NC(=O)C2(CCCC2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C14H13ClN2O3/c15-9-4-3-5-10(8-9)17-12(19)14(6-1-2-7-14)11(18)16-13(17)20/h3-5,8H,1-2,6-7H2,(H,16,18,20)
InChIKeyYNAITASPELTGAP-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.48
Rot. Bonds1

About 9-(3-chlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione

9-(3-chlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione (PubChem CID 115945669) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 9-(3-chlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione.

Molecular Properties

Compound Name9-(3-chlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
PubChem CID115945669
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name9-(3-chlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESO=C1NC(=O)C2(CCCC2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C14H13ClN2O3/c15-9-4-3-5-10(8-9)17-12(19)14(6-1-2-7-14)11(18)16-13(17)20/h3-5,8H,1-2,6-7H2,(H,16,18,20)
InChIKeyYNAITASPELTGAP-UHFFFAOYSA-N
XLogP2.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.48
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
8-phenyl-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112598541
9-(2,6-dichlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115948372
1-(3-chlorophenyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 112598230
8-(3-methylsulfanylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115946109
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
9-(2,3-dichlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115946527
7-(3-chloro-4-fluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112599086
7-(3-ethylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598589
9-(4-bromo-3-methylphenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115946332
8-(3-bromo-4-methylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115948202

Frequently Asked Questions

What is the IUPAC name of 9-(3-chlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The IUPAC name of 9-(3-chlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione (CID 115945669) is 9-(3-chlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione.
What is the SMILES notation for 9-(3-chlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The canonical SMILES for 9-(3-chlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione is O=C1NC(=O)C2(CCCC2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of 9-(3-chlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The InChIKey is YNAITASPELTGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c15-9-4-3-5-10(8-9)17-12(19)14(6-1-2-7-14)11(18)16-13(17)20/h3-5,8H,1-2,6-7H2,(H,16,18,20).
What are the key properties of 9-(3-chlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
9-(3-chlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione has a molecular weight of 292.72 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-chlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione is sourced from PubChem (CID 115945669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).