1-(2-Oxocyclopentyl)ethane-1,1,2,2-tetracarbonitrile
Basic information
- CAS
95081-84-8- Standard SMILES
N#CC(C#N)C(C#N)(C#N)C1CCCC1=O- InChIKey
HHEVNIQTDOUUNK-UHFFFAOYSA-N- Molecular formula
- C11H8N4O
- Average molar mass
- 212.21 g/mol
- Monoisotopic mass
- 212.06981089
Names & identifiers
- Preferred name
- 1-(2-Oxocyclopentyl)ethane-1,1,2,2-tetracarbonitrile
- IUPAC
- 1-(2-oxocyclopentyl)ethane-1,1,2,2-tetracarbonitrile
Names & synonyms
1-(2-oxocyclopentyl)ethane-1,1,2,2-tetracarbonitrile95081-84-8DTXSID40340376RefChem:223840DTXCID60291457ChemDiv2_002120HHEVNIQTDOUUNK-UHFFFAOYSA-NHMS1375A08STK760352AKOS001746857ST40465782,3-Dicyano-2-(2-oxo-cyclopentyl)-succinonitrile
Show more names
SR-01000524456SR-01000524456-11-(2-Oxocyclopentyl)-1,1,2,2-ethanetetracarbonitrile #
Database identifiers
- CAS
95081-84-8- PubChem CID
- 564302
- DTXSID
DTXSID40340376- Nikkaji
- J867.191E
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 479
Related reactions
0 records
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Compound notes
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