Basic information
- CAS
122629-20-3- Standard SMILES
CI.CN1CC[C@H]2C(=O)CCC[C@@H]2C1- InChIKey
GRLWEFQPKDRHFC-VTLYIQCISA-N- Molecular formula
- C11H20INO
- Average molar mass
- 309.19 g/mol
- Monoisotopic mass
- 309.05896
Overview
structure given in first source
Names & identifiers
- Preferred name
- octahydro-2-methyl-trans-5(1H)-isoquinolone methiodide
- IUPAC
- (4aR,8aS)-2-methyl-1,3,4,4a,6,7,8,8a-octahydroisoquinolin-5-one;iodomethane
- English name
- octahydro-2-methyl-trans-5(1H)-isoquinolone methiodide
- Molecular weight
- 0
Names & synonyms
Omt-isoquinolone methiodide122629-20-3Octahydro-2-methyl-trans-5(1H)-isoquinolone methiodideDTXSID20153668RefChem:167734DTXCID7076159(4aR,8aS)-2-Methyloctahydroisoquinolin-5(1H)-one--iodomethane (1/1)
Database identifiers
- CAS
122629-20-3- PubChem CID
- 129756
- DTXSID
DTXSID20153668
Properties
Computed structural properties
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 192
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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