8-(3-chlorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione

C13H11ClN2O3 — CID 112598235

IUPAC8-(3-chlorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESO=C1NC(=O)C2(CCC2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C13H11ClN2O3/c14-8-3-1-4-9(7-8)16-11(18)13(5-2-6-13)10(17)15-12(16)19/h1,3-4,7H,2,5-6H2,(H,15,17,19)
InChIKeyZQFAEPRLPMBWNR-UHFFFAOYSA-N
MW278.69 g/mol
LogP2.09
Rot. Bonds1

About 8-(3-chlorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione

8-(3-chlorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione (PubChem CID 112598235) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.69 g/mol. Its IUPAC name is 8-(3-chlorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione.

Molecular Properties

Compound Name8-(3-chlorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
PubChem CID112598235
Molecular FormulaC13H11ClN2O3
Molecular Weight278.69 g/mol
Exact Mass278.05
IUPAC Name8-(3-chlorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESO=C1NC(=O)C2(CCC2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C13H11ClN2O3/c14-8-3-1-4-9(7-8)16-11(18)13(5-2-6-13)10(17)15-12(16)19/h1,3-4,7H,2,5-6H2,(H,15,17,19)
InChIKeyZQFAEPRLPMBWNR-UHFFFAOYSA-N
XLogP2.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 52.09
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

9-(3-chlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115945669
8-phenyl-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112598541
8-(3-methylsulfanylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115946109
8-(3-bromo-4-chlorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115948707
1-(3-chlorophenyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 112598230
8-(3-bromo-4-methylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115948202
9-(2,6-dichlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115948372
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-(3-bromo-4-methylphenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115948201
9-(2,3-dichlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115946527
7-(5-chloro-2-fluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112599284

Frequently Asked Questions

What is the IUPAC name of 8-(3-chlorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The IUPAC name of 8-(3-chlorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione (CID 112598235) is 8-(3-chlorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione.
What is the SMILES notation for 8-(3-chlorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The canonical SMILES for 8-(3-chlorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione is O=C1NC(=O)C2(CCC2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of 8-(3-chlorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The InChIKey is ZQFAEPRLPMBWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c14-8-3-1-4-9(7-8)16-11(18)13(5-2-6-13)10(17)15-12(16)19/h1,3-4,7H,2,5-6H2,(H,15,17,19).
What are the key properties of 8-(3-chlorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
8-(3-chlorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione has a molecular weight of 278.69 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chlorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione is sourced from PubChem (CID 112598235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).