Basic information
- CAS
56254-47-8- Standard SMILES
C=CCN1CCc2cc(OC)c(OC)cc2[C@@H]1C.C=CN1CCCC1=O- InChIKey
OMGRPWUPSCGYKF-MERQFXBCSA-N- Molecular formula
- C21H30N2O3
- Average molar mass
- 358.5 g/mol
- Monoisotopic mass
- 358.22564282
Names & identifiers
- Preferred name
- (1S)-6,7-dimethoxy-1-methyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline;1-ethenylpyrrolidin-2-one
- IUPAC
- (1S)-6,7-dimethoxy-1-methyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline;1-ethenylpyrrolidin-2-one
Database identifiers
- CAS
56254-47-8- PubChem CID
- 3043873
- DTXSID
DTXSID20204806
Properties
Computed structural properties
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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