7-(2,3-dihydro-1H-inden-1-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione

C15H14N2O3 — CID 115946932

IUPAC7-(2,3-dihydro-1H-inden-1-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESO=C1NC(=O)C2(CC2)C(=O)N1C1CCc2ccccc21
InChIInChI=1S/C15H14N2O3/c18-12-15(7-8-15)13(19)17(14(20)16-12)11-6-5-9-3-1-2-4-10(9)11/h1-4,11H,5-8H2,(H,16,18,20)
InChIKeyQNTIUMQYXSQSFG-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.53
Rot. Bonds1

About 7-(2,3-dihydro-1H-inden-1-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione

7-(2,3-dihydro-1H-inden-1-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (PubChem CID 115946932) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 7-(2,3-dihydro-1H-inden-1-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.

Molecular Properties

Compound Name7-(2,3-dihydro-1H-inden-1-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
PubChem CID115946932
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name7-(2,3-dihydro-1H-inden-1-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESO=C1NC(=O)C2(CC2)C(=O)N1C1CCc2ccccc21
InChIInChI=1S/C15H14N2O3/c18-12-15(7-8-15)13(19)17(14(20)16-12)11-6-5-9-3-1-2-4-10(9)11/h1-4,11H,5-8H2,(H,16,18,20)
InChIKeyQNTIUMQYXSQSFG-UHFFFAOYSA-N
XLogP1.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 7-(2,3-dihydro-1H-inden-1-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione with MolForge

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Related Compounds

7-(2-oxopiperidin-3-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112600414
2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
CID 4314166
1-[(1S)-2,3-dihydro-1H-inden-1-yl]piperazine
CID 30634298
1-azatetracyclo[9.8.0.03,8.012,17]nonadeca-3,5,7,12,14,16-hexaen-2-one
CID 102593110
(11bR)-1,2,5,6,7,11b-hexahydropyrrolo[2,1-a][2]benzazepin-3-one
CID 56956909
1-(2,3-dihydro-1H-inden-1-yl)-N,4-dimethylpiperidin-4-amine
CID 113282872
(5S,11bR)-5-(hydroxymethyl)-1,2,5,6,7,11b-hexahydropyrrolo[2,1-a][2]benzazepin-3-one
CID 56956907
CID 11170996
CID 11170996
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopyridine-3-carboxylic acid
CID 66610575
1-(2,3-dihydro-1-benzofuran-3-yl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 115948392
2-[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]isoindole-1,3-dione
CID 92977923
1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazolidin-2-one
CID 124578698

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydro-1H-inden-1-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The IUPAC name of 7-(2,3-dihydro-1H-inden-1-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (CID 115946932) is 7-(2,3-dihydro-1H-inden-1-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.
What is the SMILES notation for 7-(2,3-dihydro-1H-inden-1-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The canonical SMILES for 7-(2,3-dihydro-1H-inden-1-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is O=C1NC(=O)C2(CC2)C(=O)N1C1CCc2ccccc21.
What is the InChIKey of 7-(2,3-dihydro-1H-inden-1-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The InChIKey is QNTIUMQYXSQSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-12-15(7-8-15)13(19)17(14(20)16-12)11-6-5-9-3-1-2-4-10(9)11/h1-4,11H,5-8H2,(H,16,18,20).
What are the key properties of 7-(2,3-dihydro-1H-inden-1-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
7-(2,3-dihydro-1H-inden-1-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione has a molecular weight of 270.29 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydro-1H-inden-1-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is sourced from PubChem (CID 115946932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).