2,5-Diazabicyclo[4.2.0]oct-1(6)-ene-7,8-dione
Basic information
- CAS
1086378-68-8- Standard SMILES
O=c1c2c(c1=O)NCCN2- InChIKey
PFADEFRAGKQVTN-UHFFFAOYSA-N- Molecular formula
- C6H6N2O2
- Average molar mass
- 138.12 g/mol
- Monoisotopic mass
- 138.04292744
Names & identifiers
- Preferred name
- 2,5-Diazabicyclo[4.2.0]oct-1(6)-ene-7,8-dione
- IUPAC
- 2,5-diazabicyclo[4.2.0]oct-1(6)-ene-7,8-dione
Names & synonyms
2,5-Diazabicyclo[4.2.0]oct-1(6)-ene-7,8-dione1086378-68-8DTXSID001253373SBB052046AKOS0063144551,2,3,4-tetrahydrocyclobuta[1,2-b]pyrazine-5,6-dione
Database identifiers
- CAS
1086378-68-8- PubChem CID
- 28875367
- DTXSID
DTXSID001253373
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 228
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Compound notes
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