9-(2,6-dichlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione

C14H12Cl2N2O3 — CID 115948372

IUPAC9-(2,6-dichlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESO=C1NC(=O)C2(CCCC2)C(=O)N1c1c(Cl)cccc1Cl
InChIInChI=1S/C14H12Cl2N2O3/c15-8-4-3-5-9(16)10(8)18-12(20)14(6-1-2-7-14)11(19)17-13(18)21/h3-5H,1-2,6-7H2,(H,17,19,21)
InChIKeyBSZOYWLNBZEYCM-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.14
Rot. Bonds1

About 9-(2,6-dichlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione

9-(2,6-dichlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione (PubChem CID 115948372) has the molecular formula C14H12Cl2N2O3 and a molecular weight of 327.17 g/mol. Its IUPAC name is 9-(2,6-dichlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione.

Molecular Properties

Compound Name9-(2,6-dichlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
PubChem CID115948372
Molecular FormulaC14H12Cl2N2O3
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name9-(2,6-dichlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
SMILESO=C1NC(=O)C2(CCCC2)C(=O)N1c1c(Cl)cccc1Cl
InChIInChI=1S/C14H12Cl2N2O3/c15-8-4-3-5-9(16)10(8)18-12(20)14(6-1-2-7-14)11(19)17-13(18)21/h3-5H,1-2,6-7H2,(H,17,19,21)
InChIKeyBSZOYWLNBZEYCM-UHFFFAOYSA-N
XLogP3.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 53.14
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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Frequently Asked Questions

What is the IUPAC name of 9-(2,6-dichlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The IUPAC name of 9-(2,6-dichlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione (CID 115948372) is 9-(2,6-dichlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione.
What is the SMILES notation for 9-(2,6-dichlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The canonical SMILES for 9-(2,6-dichlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione is O=C1NC(=O)C2(CCCC2)C(=O)N1c1c(Cl)cccc1Cl.
What is the InChIKey of 9-(2,6-dichlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
The InChIKey is BSZOYWLNBZEYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3/c15-8-4-3-5-9(16)10(8)18-12(20)14(6-1-2-7-14)11(19)17-13(18)21/h3-5H,1-2,6-7H2,(H,17,19,21).
What are the key properties of 9-(2,6-dichlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione?
9-(2,6-dichlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione has a molecular weight of 327.17 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,6-dichlorophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione is sourced from PubChem (CID 115948372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).