[(1R,8R)-7-(methoxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] N-ethylcarbamate
Basic information
- CAS
78472-03-4- Standard SMILES
CCNC(=O)O[C@@H]1CCN2CC=C(COC)[C@H]12- InChIKey
YSEQQTYXFLNJMC-GHMZBOCLSA-N- Molecular formula
- C12H20N2O3
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.1473925
Names & identifiers
- Preferred name
- [(1R,8R)-7-(methoxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] N-ethylcarbamate
- IUPAC
- [(1R,8R)-7-(methoxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] N-ethylcarbamate
Names & synonyms
78472-03-4DTXSID60999789Retronecine 7-(N-ethylcarbamate) 9-methyl ether7-(Methoxymethyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl hydrogen ethylcarbonimidate(1R,7aR)-7-(Methoxymethyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl hydrogen ethylcarbonimidate
Database identifiers
- CAS
78472-03-4- PubChem CID
- 186973
- DTXSID
DTXSID60999789
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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