(8S,8aR)-8-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine
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Basic information
- CAS
586347-06-0- Standard SMILES
C=CC[C@@H]1CCCN2CCC[C@H]12- InChIKey
IBHZSFKPHFWUAT-GHMZBOCLSA-N- Molecular formula
- C11H19N
- Average molar mass
- 165.27 g/mol
Names & identifiers
- Preferred name
- (8S,8aR)-8-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine
- IUPAC
- (8S,8aR)-8-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine
- English name
- Indolizine, octahydro-8-(2-propenyl)-, (8R,8aS)-rel- (9CI)
- Molecular formula
- C11H19N
- Molecular weight
- 165.28
Names & synonyms
Indolizine, octahydro-8-(2-propen-1-yl)-, (8R,8aS)-rel-Indolizine, octahydro-8-(2-propenyl)-, (8R,8aS)-rel- (9CI)
Database identifiers
- CAS
586347-06-0- Nikkaji
- J1.891.607J
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 219.922 · 219.922±9.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.939 · 0.939±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.484 · 10.484±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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