Basic information
- Standard SMILES
O=C(O)/C=C/C(=O)O.O=C1CC2(CCN(C3CC4CCCCCCC43)CC2)N1c1ccccc1- InChIKey
OYHYLAGIYGVBKY-WLHGVMLRSA-N- Molecular formula
- C27H36N2O5
- Average molar mass
- 468.6 g/mol
Names & identifiers
- Preferred name
- (1RS,8RS,9RS)-7-Bicyclo[6.2.0]dec-9-yl-1-phenyl-1,7-diaza-spiro[3.5]nonan-2-one fumarate
- IUPAC
- 7-(9-bicyclo[6.2.0]decanyl)-1-phenyl-1,7-diazaspiro[3.5]nonan-2-one;(E)-but-2-enedioic acid
Names & synonyms
SCHEMBL7878758OYHYLAGIYGVBKY-WLHGVMLRSA-N(1RS,8RS,9RS)-7-Bicyclo[6.2.0]dec-9-yl-1-phenyl-1,7-diaza-spiro[3.5]nonan-2-one fumarate(1RS,8RS,9SR)-7-Bicyclo[6.2.0]dec-9-yl-1-phenyl-1,7-diaza-spiro[3.5]nonan-2-one fumarate
Database identifiers
- PubChem CID
- 23298907
Properties
Computed structural properties
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 637
Related reactions
2 records
Compound notes
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