Basic information
- CAS
116473-73-5- Standard SMILES
N#Cc1ccccc1N1CC(=O)N(c2ccccc2C#N)CC1=O- InChIKey
HGMQHBSNRVPSMB-UHFFFAOYSA-N- Molecular formula
- C18H12N4O2
- Average molar mass
- 316.3 g/mol
- Monoisotopic mass
- 316.09602564
Names & identifiers
- Preferred name
- 2,2'-(2,5-Dioxopiperazine-1,4-diyl)dibenzonitrile
- IUPAC
- 2-[4-(2-cyanophenyl)-2,5-dioxopiperazin-1-yl]benzonitrile
Names & synonyms
116473-73-52,2'-(2,5-Dioxopiperazine-1,4-diyl)dibenzonitrileDTXSID00553521
Database identifiers
- CAS
116473-73-5- PubChem CID
- 13972794
- DTXSID
DTXSID00553521
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 559
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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