8-Propionyl-3,8-diazabicyclo(3.2.1)octane-ethanol
Basic information
- CAS
24054-93-1- Standard SMILES
CCC(=O)N1C2CCC1CN(CCO)C2- InChIKey
JFXIIJKNDNHSFL-UHFFFAOYSA-N- Molecular formula
- C11H20N2O2
- Average molar mass
- 212.29 g/mol
- Monoisotopic mass
- 212.15247789
Names & identifiers
- Preferred name
- 8-Propionyl-3,8-diazabicyclo(3.2.1)octane-ethanol
- IUPAC
- 1-[3-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
- English name
- 8-Propionyl-3,8-diazabicyclo[3.2.1]octane-3-ethanol
- Molecular formula
- C11H20N2O2
- Molecular weight
- 212.29
Names & synonyms
24054-93-1BRN 05189978-Propionyl-3,8-diazabicyclo(3.2.1)octane-ethanol1-[3-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one3,8-Diazabicyclo(3.2.1)octane-3-ethanol, 8-propionyl-3-(2-Hydroxyethyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane8-Propionyl-3,8-diazabicyclo[3.2.1]octane-3-ethanolDTXSID509469043-(2-hydroxy-ethyl)-8-propionyl-3,8-diaza-bicyclo[3.2.1]octane1-Propanone, 1-[3-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]oct-8-yl]-
Database identifiers
- CAS
24054-93-1- PubChem CID
- 91117
- DTXSID
DTXSID50946904- Nikkaji
- J40.789E
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 231
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Compound notes
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