Basic information
- CAS
42940-52-3- Standard SMILES
CN1C(=O)C(C#N)C2(CCCCC2)C(C#N)C1=O- InChIKey
KEYPWCXCVHWNAE-UHFFFAOYSA-N- Molecular formula
- C13H15N3O2
- Average molar mass
- 245.28 g/mol
- Monoisotopic mass
- 245.11642673
Names & identifiers
- Preferred name
- 3-Methyl-2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile
- IUPAC
- 3-methyl-2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrile
Names & synonyms
42940-52-33-Methyl-2,4-dioxo-3-azaspiro[5.5]undecane-1,5-dicarbonitrileDTXSID60494921
Database identifiers
- CAS
42940-52-3- PubChem CID
- 12372668
- DTXSID
DTXSID60494921
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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