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

C15H14N2O3 — CID 115946320

IUPAC7-(2,3-dihydro-1H-inden-5-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESO=C1NC(=O)C2(CC2)C(=O)N1c1ccc2c(c1)CCC2
InChIInChI=1S/C15H14N2O3/c18-12-15(6-7-15)13(19)17(14(20)16-12)11-5-4-9-2-1-3-10(9)8-11/h4-5,8H,1-3,6-7H2,(H,16,18,20)
InChIKeyZOUXCUXAFGNJBF-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.54
Rot. Bonds1

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

7-(2,3-dihydro-1H-inden-5-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (PubChem CID 115946320) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 7-(2,3-dihydro-1H-inden-5-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.

Molecular Properties

Compound Name7-(2,3-dihydro-1H-inden-5-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
PubChem CID115946320
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name7-(2,3-dihydro-1H-inden-5-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESO=C1NC(=O)C2(CC2)C(=O)N1c1ccc2c(c1)CCC2
InChIInChI=1S/C15H14N2O3/c18-12-15(6-7-15)13(19)17(14(20)16-12)11-5-4-9-2-1-3-10(9)8-11/h4-5,8H,1-3,6-7H2,(H,16,18,20)
InChIKeyZOUXCUXAFGNJBF-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
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 7-(2,3-dihydro-1H-inden-5-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The IUPAC name of 7-(2,3-dihydro-1H-inden-5-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione (CID 115946320) is 7-(2,3-dihydro-1H-inden-5-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione.
What is the SMILES notation for 7-(2,3-dihydro-1H-inden-5-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The canonical SMILES for 7-(2,3-dihydro-1H-inden-5-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is O=C1NC(=O)C2(CC2)C(=O)N1c1ccc2c(c1)CCC2.
What is the InChIKey of 7-(2,3-dihydro-1H-inden-5-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The InChIKey is ZOUXCUXAFGNJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-12-15(6-7-15)13(19)17(14(20)16-12)11-5-4-9-2-1-3-10(9)8-11/h4-5,8H,1-3,6-7H2,(H,16,18,20).
What are the key properties of 7-(2,3-dihydro-1H-inden-5-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione?
7-(2,3-dihydro-1H-inden-5-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione has a molecular weight of 270.29 g/mol, XLogP of 1.54, 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-5-yl)-5,7-diazaspiro[2.5]octane-4,6,8-trione is sourced from PubChem (CID 115946320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).