(3-Chlorophenyl)[(3aR,6aS)-tetrahydro-1H-furo[3,4-c]pyrrol-5(3H)-yl]methanone
Basic information
- CAS
57269-00-8- Standard SMILES
O=C(c1cccc(Cl)c1)N1C[C@H]2COC[C@H]2C1- InChIKey
MIRZZLALQFAKMH-PHIMTYICSA-N- Molecular formula
- C13H14ClNO2
- Average molar mass
- 251.71 g/mol
- Monoisotopic mass
- 251.0713064
Names & identifiers
- Preferred name
- (3-Chlorophenyl)[(3aR,6aS)-tetrahydro-1H-furo[3,4-c]pyrrol-5(3H)-yl]methanone
- IUPAC
- [(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-(3-chlorophenyl)methanone
Names & synonyms
57269-00-8DTXSID20853030(3-Chlorophenyl)[(3aR,6aS)-tetrahydro-1H-furo[3,4-c]pyrrol-5(3H)-yl]methanone
Database identifiers
- CAS
57269-00-8- PubChem CID
- 71444239
- DTXSID
DTXSID20853030
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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