Basic information
- CAS
7599-22-6- Standard SMILES
O=C1C=C2CCN(C(=O)c3ccccc3)CC2CC1- InChIKey
ZJTJXGOBGGVHKX-UHFFFAOYSA-N- Molecular formula
- C16H17NO2
- Average molar mass
- 255.31 g/mol
- Monoisotopic mass
- 255.12592879
Names & identifiers
- Preferred name
- 2-Benzoyl-1,3,4,7,8,8a-hexahydroisoquinolin-6-one
- IUPAC
- 2-benzoyl-1,3,4,7,8,8a-hexahydroisoquinolin-6-one
Names & synonyms
2-benzoyl-1,3,4,7,8,8a-hexahydroisoquinolin-6-one7599-22-6NSC405982SCHEMBL11392068DTXSID70324189ZJTJXGOBGGVHKX-UHFFFAOYSA-NNSC-405982AO-801/410773041,3,4,7,8,8a-hexahydro-2-benzoyl-6(2H)-isoquinolinone2-benzoyl-1,3,4,7,8,8a-hexahydro-6(2H)-isoquinolinone2-Benzoyl-1,3,4,7,8,8a-hexahydroisoquinolin-6(2H)-one
Database identifiers
- CAS
7599-22-6- PubChem CID
- 347346
- DTXSID
DTXSID70324189
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 407
Related reactions
1 records
Compound notes
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