Basic information
- Standard SMILES
C=COC(=O)N1CC2C(=O)CCC(C)(c3ccccc3)C2C1- InChIKey
ZUEWWXNYQQWUKB-UHFFFAOYSA-N- Molecular formula
- C18H21NO3
- Average molar mass
- 299.4 g/mol
Names & identifiers
- Preferred name
- (3aRS,7SR,7aRS)-7-methyl-7-phenyl-2-vinyloxycarbonyl-4-perhydroisoindolone
- IUPAC
- ethenyl 4-methyl-7-oxo-4-phenyl-1,3,3a,5,6,7a-hexahydroisoindole-2-carboxylate
Names & synonyms
SCHEMBL8874718ZUEWWXNYQQWUKB-UHFFFAOYSA-N(3aRS,7SR,7aRS)-7-methyl-7-phenyl-2-vinyloxycarbonyl-4-perhydroisoindolone
Database identifiers
- PubChem CID
- 67714243
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 469
Related reactions
2 records
Compound notes
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