2,4-diazaspiro[5.5]undecane-1,3,5-trione

C9H12N2O3 — CID 5843

IUPAC2,4-diazaspiro[5.5]undecane-1,3,5-trione
SMILESO=C1NC(=O)C2(CCCCC2)C(=O)N1
InChIInChI=1S/C9H12N2O3/c12-6-9(4-2-1-3-5-9)7(13)11-8(14)10-6/h1-5H2,(H2,10,11,12,13,14)
InChIKeyNBLIVIWUPTWDMD-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.30
Rot. Bonds

About 2,4-diazaspiro[5.5]undecane-1,3,5-trione

2,4-diazaspiro[5.5]undecane-1,3,5-trione (PubChem CID 5843) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2,4-diazaspiro[5.5]undecane-1,3,5-trione.

Molecular Properties

Compound Name2,4-diazaspiro[5.5]undecane-1,3,5-trione
PubChem CID5843
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2,4-diazaspiro[5.5]undecane-1,3,5-trione
SMILESO=C1NC(=O)C2(CCCCC2)C(=O)N1
InChIInChI=1S/C9H12N2O3/c12-6-9(4-2-1-3-5-9)7(13)11-8(14)10-6/h1-5H2,(H2,10,11,12,13,14)
InChIKeyNBLIVIWUPTWDMD-UHFFFAOYSA-N
XLogP0.30
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.30
H-Bond Donors ≤ 52
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 2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The IUPAC name of 2,4-diazaspiro[5.5]undecane-1,3,5-trione (CID 5843) is 2,4-diazaspiro[5.5]undecane-1,3,5-trione.
What is the SMILES notation for 2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The canonical SMILES for 2,4-diazaspiro[5.5]undecane-1,3,5-trione is O=C1NC(=O)C2(CCCCC2)C(=O)N1.
What is the InChIKey of 2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The InChIKey is NBLIVIWUPTWDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-6-9(4-2-1-3-5-9)7(13)11-8(14)10-6/h1-5H2,(H2,10,11,12,13,14).
What are the key properties of 2,4-diazaspiro[5.5]undecane-1,3,5-trione?
2,4-diazaspiro[5.5]undecane-1,3,5-trione has a molecular weight of 196.21 g/mol, XLogP of 0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diazaspiro[5.5]undecane-1,3,5-trione is sourced from PubChem (CID 5843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).