8-(1-methyl-2,5-dioxopyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione

C12H13N3O5 — CID 115948583

IUPAC8-(1-methyl-2,5-dioxopyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESCN1C(=O)CC(N2C(=O)NC(=O)C3(CCC3)C2=O)C1=O
InChIInChI=1S/C12H13N3O5/c1-14-7(16)5-6(8(14)17)15-10(19)12(3-2-4-12)9(18)13-11(15)20/h6H,2-5H2,1H3,(H,13,18,20)
InChIKeyLKKLQZSOMACNTC-UHFFFAOYSA-N
MW279.25 g/mol
LogP-1.01
Rot. Bonds1

About 8-(1-methyl-2,5-dioxopyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione

8-(1-methyl-2,5-dioxopyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione (PubChem CID 115948583) has the molecular formula C12H13N3O5 and a molecular weight of 279.25 g/mol. Its IUPAC name is 8-(1-methyl-2,5-dioxopyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione.

Molecular Properties

Compound Name8-(1-methyl-2,5-dioxopyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
PubChem CID115948583
Molecular FormulaC12H13N3O5
Molecular Weight279.25 g/mol
Exact Mass279.09
IUPAC Name8-(1-methyl-2,5-dioxopyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
SMILESCN1C(=O)CC(N2C(=O)NC(=O)C3(CCC3)C2=O)C1=O
InChIInChI=1S/C12H13N3O5/c1-14-7(16)5-6(8(14)17)15-10(19)12(3-2-4-12)9(18)13-11(15)20/h6H,2-5H2,1H3,(H,13,18,20)
InChIKeyLKKLQZSOMACNTC-UHFFFAOYSA-N
XLogP-1.01
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-(1-methyl-2,5-dioxopyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(1-methyl-2,5-dioxopyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The IUPAC name of 8-(1-methyl-2,5-dioxopyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione (CID 115948583) is 8-(1-methyl-2,5-dioxopyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione.
What is the SMILES notation for 8-(1-methyl-2,5-dioxopyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The canonical SMILES for 8-(1-methyl-2,5-dioxopyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione is CN1C(=O)CC(N2C(=O)NC(=O)C3(CCC3)C2=O)C1=O.
What is the InChIKey of 8-(1-methyl-2,5-dioxopyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
The InChIKey is LKKLQZSOMACNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5/c1-14-7(16)5-6(8(14)17)15-10(19)12(3-2-4-12)9(18)13-11(15)20/h6H,2-5H2,1H3,(H,13,18,20).
What are the key properties of 8-(1-methyl-2,5-dioxopyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione?
8-(1-methyl-2,5-dioxopyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione has a molecular weight of 279.25 g/mol, XLogP of -1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methyl-2,5-dioxopyrrolidin-3-yl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione is sourced from PubChem (CID 115948583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).