5a(2),6a(2),7a(2),8a(2)-Tetrahydro-4a(2)-methoxy-6a(2)-methylspiro[cyclohexane-1,9a(2)-[9H-1,3]dioxolo[4,5-h][2]benzazepin]-4-one
Basic information
- CAS
111034-59-4- Standard SMILES
COc1c2c(cc3c1OCO3)C1(CCC(=O)CC1)CCN(C)C2- InChIKey
IFDUFJKHCNZHAW-UHFFFAOYSA-N- Molecular formula
- C18H23NO4
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.16270821
Names & identifiers
- Preferred name
- 5a(2),6a(2),7a(2),8a(2)-Tetrahydro-4a(2)-methoxy-6a(2)-methylspiro[cyclohexane-1,9a(2)-[9H-1,3]dioxolo[4,5-h][2]benzazepin]-4-one
- IUPAC
- 4-methoxy-6-methylspiro[7,8-dihydro-5H-[1,3]dioxolo[4,5-h][2]benzazepine-9,4'-cyclohexane]-1'-one
Names & synonyms
DTXSID801109140111034-59-45a(2),6a(2),7a(2),8a(2)-Tetrahydro-4a(2)-methoxy-6a(2)-methylspiro[cyclohexane-1,9a(2)-[9H-1,3]dioxolo[4,5-h][2]benzazepin]-4-one
Database identifiers
- CAS
111034-59-4- PubChem CID
- 165367478
- DTXSID
DTXSID801109140
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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