1,4-diazaspiro[5.5]undecane-3,5-dione

C9H14N2O2 — CID 7131553

IUPAC1,4-diazaspiro[5.5]undecane-3,5-dione
SMILESO=C1CNC2(CCCCC2)C(=O)N1
InChIInChI=1S/C9H14N2O2/c12-7-6-10-9(8(13)11-7)4-2-1-3-5-9/h10H,1-6H2,(H,11,12,13)
InChIKeyZQIMXZJALAYSTB-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.06
Rot. Bonds

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

1,4-diazaspiro[5.5]undecane-3,5-dione (PubChem CID 7131553) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1,4-diazaspiro[5.5]undecane-3,5-dione.

Molecular Properties

Compound Name1,4-diazaspiro[5.5]undecane-3,5-dione
PubChem CID7131553
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1,4-diazaspiro[5.5]undecane-3,5-dione
SMILESO=C1CNC2(CCCCC2)C(=O)N1
InChIInChI=1S/C9H14N2O2/c12-7-6-10-9(8(13)11-7)4-2-1-3-5-9/h10H,1-6H2,(H,11,12,13)
InChIKeyZQIMXZJALAYSTB-UHFFFAOYSA-N
XLogP-0.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-diazaspiro[5.5]undecane-3,5-dione?
The IUPAC name of 1,4-diazaspiro[5.5]undecane-3,5-dione (CID 7131553) is 1,4-diazaspiro[5.5]undecane-3,5-dione.
What is the SMILES notation for 1,4-diazaspiro[5.5]undecane-3,5-dione?
The canonical SMILES for 1,4-diazaspiro[5.5]undecane-3,5-dione is O=C1CNC2(CCCCC2)C(=O)N1.
What is the InChIKey of 1,4-diazaspiro[5.5]undecane-3,5-dione?
The InChIKey is ZQIMXZJALAYSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-7-6-10-9(8(13)11-7)4-2-1-3-5-9/h10H,1-6H2,(H,11,12,13).
What are the key properties of 1,4-diazaspiro[5.5]undecane-3,5-dione?
1,4-diazaspiro[5.5]undecane-3,5-dione has a molecular weight of 182.22 g/mol, XLogP of -0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazaspiro[5.5]undecane-3,5-dione is sourced from PubChem (CID 7131553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).