7-(4-propan-2-ylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione

C15H16N2O3 — CID 115946177

IUPAC7-(4-propan-2-ylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESCC(C)c1ccc(N2C(=O)NC(=O)C3(CC3)C2=O)cc1
InChIInChI=1S/C15H16N2O3/c1-9(2)10-3-5-11(6-4-10)17-13(19)15(7-8-15)12(18)16-14(17)20/h3-6,9H,7-8H2,1-2H3,(H,16,18,20)
InChIKeySBIFLUBJXFGZKI-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.17
Rot. Bonds2

About 7-(4-propan-2-ylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione

7-(4-propan-2-ylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (PubChem CID 115946177) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 7-(4-propan-2-ylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.

Molecular Properties

Compound Name7-(4-propan-2-ylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
PubChem CID115946177
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name7-(4-propan-2-ylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESCC(C)c1ccc(N2C(=O)NC(=O)C3(CC3)C2=O)cc1
InChIInChI=1S/C15H16N2O3/c1-9(2)10-3-5-11(6-4-10)17-13(19)15(7-8-15)12(18)16-14(17)20/h3-6,9H,7-8H2,1-2H3,(H,16,18,20)
InChIKeySBIFLUBJXFGZKI-UHFFFAOYSA-N
XLogP2.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.17
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

7-(4-butylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115946746
8-phenyl-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112598541
7-(4-bromo-3-methylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598960
7-(3-chloro-4-fluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112599086
7-(2,3-dihydro-1H-inden-5-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115946320
7-(3-bromo-4-fluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 104782111
7-(3-ethylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112598589
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
9-(3-bromo-4-methylphenyl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115948201
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

Frequently Asked Questions

What is the IUPAC name of 7-(4-propan-2-ylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The IUPAC name of 7-(4-propan-2-ylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (CID 115946177) is 7-(4-propan-2-ylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.
What is the SMILES notation for 7-(4-propan-2-ylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The canonical SMILES for 7-(4-propan-2-ylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is CC(C)c1ccc(N2C(=O)NC(=O)C3(CC3)C2=O)cc1.
What is the InChIKey of 7-(4-propan-2-ylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The InChIKey is SBIFLUBJXFGZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9(2)10-3-5-11(6-4-10)17-13(19)15(7-8-15)12(18)16-14(17)20/h3-6,9H,7-8H2,1-2H3,(H,16,18,20).
What are the key properties of 7-(4-propan-2-ylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
7-(4-propan-2-ylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione has a molecular weight of 272.30 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-propan-2-ylphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is sourced from PubChem (CID 115946177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).