2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile

C12H13N3O2 — CID 20366

IUPAC2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile
SMILESN#CC1C(=O)NC(=O)C(C#N)C12CCCCC2
InChIInChI=1S/C12H13N3O2/c13-6-8-10(16)15-11(17)9(7-14)12(8)4-2-1-3-5-12/h8-9H,1-5H2,(H,15,16,17)
InChIKeyYDDZHTSOBDNNMZ-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.87
Rot. Bonds

About 2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile

2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile (PubChem CID 20366) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile.

Molecular Properties

Compound Name2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile
PubChem CID20366
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile
SMILESN#CC1C(=O)NC(=O)C(C#N)C12CCCCC2
InChIInChI=1S/C12H13N3O2/c13-6-8-10(16)15-11(17)9(7-14)12(8)4-2-1-3-5-12/h8-9H,1-5H2,(H,15,16,17)
InChIKeyYDDZHTSOBDNNMZ-UHFFFAOYSA-N
XLogP0.87
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile 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 2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile?
The IUPAC name of 2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile (CID 20366) is 2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile.
What is the SMILES notation for 2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile?
The canonical SMILES for 2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile is N#CC1C(=O)NC(=O)C(C#N)C12CCCCC2.
What is the InChIKey of 2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile?
The InChIKey is YDDZHTSOBDNNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-6-8-10(16)15-11(17)9(7-14)12(8)4-2-1-3-5-12/h8-9H,1-5H2,(H,15,16,17).
What are the key properties of 2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile?
2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile has a molecular weight of 231.25 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile is sourced from PubChem (CID 20366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).