Basic information
- CAS
41646-15-5- Standard SMILES
COC(=O)[C@H]1CC[C@H]2CCCN21- InChIKey
KGGOUMGOPJXMPB-HTQZYQBOSA-N- Molecular formula
- C9H15NO2
- Average molar mass
- 169.22 g/mol
- Monoisotopic mass
- 169.11027872
Names & identifiers
- Preferred name
- methyl (3R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylate
- IUPAC
- methyl (3R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylate
- English name
- 1H-Pyrrolizine-3-carboxylicacid,hexahydro-,methylester,trans-(9CI)
- Molecular formula
- C9H15NO2
- Molecular weight
- 169.22
Names & synonyms
41646-15-53-exo-Methoxy-carbonyl-pyrrolizidin1H-Pyrrolizine-3-carboxylic acid, hexahydro-, methyl ester, trans1H-Pyrrolizine-3-carboxylicacid,hexahydro-,methylester,trans-(9CI)1H-Pyrrolizine-3-carboxylic acid, hexahydro-, methyl ester, (3R,7aR)-rel-
Database identifiers
- CAS
41646-15-5- PubChem CID
- 93510125
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Boiling point
- 221.462 · 221.462±23.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.119 · 1.119±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.101 · 9.101±0.40(predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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