2-Propenal, 3-(tetrahydro-6-oxo-2H-pyran-2-yl)-, (2E)-
Basic information
- CAS
77795-11-0- Standard SMILES
CC[C@H]1CC2C[C@H]3c4[nH]c5ccc(OC)cc5c4[C@@H]4CN(C2O4)[C@@H]13- InChIKey
ILSHZBBCUVHNDX-MTWNFWRLSA-N- Molecular formula
- C20H24N2O2
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.18377801
Names & identifiers
- Preferred name
- 2-Propenal, 3-(tetrahydro-6-oxo-2H-pyran-2-yl)-, (2E)-
- IUPAC
- (1R,11R,15S,16S)-15-ethyl-5-methoxy-19-oxa-9,17-diazahexacyclo[15.2.1.02,10.03,8.011,16.013,18]icosa-2(10),3(8),4,6-tetraene
Names & synonyms
77795-11-0Ibogamine, 8,19-epoxy-12-methoxy-, (8beta,19S)-77803-32-82-Propenal, 3-(tetrahydro-6-oxo-2H-pyran-2-yl)-, (2E)-DTXSID2099899512-Methoxy-8,19-epoxyibogamine(6xi)-12-Methoxy-8beta-8,19-epoxyibogamine
Database identifiers
- CAS
77795-11-0、77803-32-8- PubChem CID
- 5488655
- DTXSID
DTXSID20998995
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 37.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 528
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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