8-(4-bromo-2-ethylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione

C15H15BrN2O3 — CID 115948865

IUPAC8-(4-bromo-2-ethylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESCCc1cc(Br)ccc1N1C(=O)NC(=O)C2(CCC2)C1=O
InChIInChI=1S/C15H15BrN2O3/c1-2-9-8-10(16)4-5-11(9)18-13(20)15(6-3-7-15)12(19)17-14(18)21/h4-5,8H,2-3,6-7H2,1H3,(H,17,19,21)
InChIKeyNAIIPUHQEFLGAG-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.76
Rot. Bonds2

About 8-(4-bromo-2-ethylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione

8-(4-bromo-2-ethylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione (PubChem CID 115948865) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 8-(4-bromo-2-ethylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione.

Molecular Properties

Compound Name8-(4-bromo-2-ethylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
PubChem CID115948865
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name8-(4-bromo-2-ethylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESCCc1cc(Br)ccc1N1C(=O)NC(=O)C2(CCC2)C1=O
InChIInChI=1S/C15H15BrN2O3/c1-2-9-8-10(16)4-5-11(9)18-13(20)15(6-3-7-15)12(19)17-14(18)21/h4-5,8H,2-3,6-7H2,1H3,(H,17,19,21)
InChIKeyNAIIPUHQEFLGAG-UHFFFAOYSA-N
XLogP2.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.76
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-(5-bromo-2-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115946867
7-(4-bromo-2-chlorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112599175
8-(2,4,6-tribromophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115946615
8-(3-bromo-4-methylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115948202
3-(4-bromo-2-ethylphenyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 81290029
9-(2-chloro-4-iodophenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 107605004
9-(3-bromo-5-methylphenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 107581180
(3aR,7aR)-2-(4-bromo-2-ethylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 887941
8-(3-bromo-4-chlorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115948707
9-(4-bromo-3-methylphenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115946332
8-phenyl-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112598541
7-(3-ethylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598589

Frequently Asked Questions

What is the IUPAC name of 8-(4-bromo-2-ethylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The IUPAC name of 8-(4-bromo-2-ethylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione (CID 115948865) is 8-(4-bromo-2-ethylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione.
What is the SMILES notation for 8-(4-bromo-2-ethylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The canonical SMILES for 8-(4-bromo-2-ethylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione is CCc1cc(Br)ccc1N1C(=O)NC(=O)C2(CCC2)C1=O.
What is the InChIKey of 8-(4-bromo-2-ethylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The InChIKey is NAIIPUHQEFLGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-2-9-8-10(16)4-5-11(9)18-13(20)15(6-3-7-15)12(19)17-14(18)21/h4-5,8H,2-3,6-7H2,1H3,(H,17,19,21).
What are the key properties of 8-(4-bromo-2-ethylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
8-(4-bromo-2-ethylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione has a molecular weight of 351.20 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-bromo-2-ethylphenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione is sourced from PubChem (CID 115948865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).