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7，9-Dioxo-8-azaspiro[4.5]decane-6，10-dicarbonitrile - ≥95%, high purity , CAS No.42940-56-7
Basic Description
Specifications & Purity
≥95%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azaspirodecane derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Azaspirodecane derivatives
Alternative Parents
Piperidinediones Delta lactams N-unsubstituted carboxylic acid imides Dicarboximides Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Azaspirodecanedione - Azaspirodecane - Piperidinedione - Delta-lactam - Piperidinone - Piperidine - Carboxylic acid imide - Dicarboximide - Carboxylic acid imide, n-unsubstituted - Lactam - Nitrile - Carbonitrile - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Cyanide - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as azaspirodecane derivatives. These are organic compounds containing a spirodecane moiety with at least one nitrogen atom.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
7,9-dioxo-8-azaspiro[4.5]decane-6,10-dicarbonitrile
INCHI
InChI=1S/C11H11N3O2/c12-5-7-9(15)14-10(16)8(6-13)11(7)3-1-2-4-11/h7-8H,1-4H2,(H,14,15,16)
InChIKey
USIMPDHJLHKMKA-UHFFFAOYSA-N
Smiles
C1CCC2(C1)C(C(=O)NC(=O)C2C#N)C#N
Isomeric SMILES
C1CCC2(C1)C(C(=O)NC(=O)C2C#N)C#N
PubChem CID
343672
Molecular Weight
217.23
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
217.220 g/mol
XLogP3
1.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
217.085 Da
Monoisotopic Mass
217.085 Da
Topological Polar Surface Area
93.800 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
408.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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