Basic information
- CAS
53114-48-0- Standard SMILES
O=C1C2CN=NC2C(=O)N1c1ccccc1- InChIKey
GDZCDBFZKRRVDH-UHFFFAOYSA-N- Molecular formula
- C11H9N3O2
- Average molar mass
- 215.21 g/mol
- Monoisotopic mass
- 215.06947654
Names & identifiers
- Preferred name
- 5-Phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3H,5H)-dione
- IUPAC
- 5-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-c]pyrazole-4,6-dione
Names & synonyms
53114-48-0DTXSID304953095-Phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(3H,5H)-dione
Database identifiers
- CAS
53114-48-0- PubChem CID
- 12378877
- DTXSID
DTXSID30495309- Nikkaji
- J3.228.673I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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