Basic information
- CAS
22315-22-6- Standard SMILES
CCC(=O)N1C2CCC1C(=O)N(CC=Cc1ccccc1)C2- InChIKey
QHHNVIFYIZJACJ-UHFFFAOYSA-N- Molecular formula
- C18H22N2O2
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.16812795
Names & identifiers
- Preferred name
- 3,8-Diazabicyclo(3.2.1)octan-2-one, 3-cinnamyl-8-propionyl-
- IUPAC
- 3-(3-phenylprop-2-enyl)-8-propanoyl-3,8-diazabicyclo[3.2.1]octan-2-one
- English name
- 3-Cinnamyl-8-propionyl-3,8-diazabicyclo[3.2.1]octan-2-one
- Molecular formula
- C18H22N2O2
- Molecular weight
- 298.38
Names & synonyms
BRN 081531722315-22-63-Cinnamyl-8-propionyl-3,8-diazabicyclo(3.2.1)octan-2-one3,8-Diazabicyclo(3.2.1)octan-2-one, 3-cinnamyl-8-propionyl-5-24-01-00395 (Beilstein Handbook Reference)RefChem:272662DTXSID109449613-(3-Phenylprop-2-en-1-yl)-8-propanoyl-3,8-diazabicyclo[3.2.1]octan-2-one3-Cinnamyl-8-propionyl-3,8-diazabicyclo[3.2.1]octan-2-one
Database identifiers
- CAS
22315-22-6- PubChem CID
- 90765
- DTXSID
DTXSID10944961
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 454
Physicochemical properties
- Boiling point
- 546.374 · 546.374±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.167 · 1.167±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.899 · -0.899±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…