Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC2CN(C(=O)c3ccccc3)CC2C1- InChIKey
VAROJHGWTVRXIK-UHFFFAOYSA-N- Molecular formula
- C18H24N2O3
- Average molar mass
- 316.4 g/mol
Names & identifiers
- Preferred name
- tert-butyl 5-benzoylhexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
- IUPAC
- tert-butyl 2-benzoyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
Names & synonyms
SCHEMBL14746435VAROJHGWTVRXIK-UHFFFAOYSA-Ntert-butyl 5-benzoylhexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
Database identifiers
- PubChem CID
- 71285668
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 451
Related reactions
2 records
Compound notes
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