Basic information
- Standard SMILES
COc1ccc2c(c1)C(=O)N(CCCO)CCC2- InChIKey
BOABOCUJCPRFAV-UHFFFAOYSA-N- Molecular formula
- C14H19NO3
- Average molar mass
- 249.3 g/mol
Names & identifiers
- Preferred name
- 2-(3-hydroxypropyl)-8-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepin-1-one
- IUPAC
- 2-(3-hydroxypropyl)-8-methoxy-4,5-dihydro-3H-2-benzazepin-1-one
Names & synonyms
SCHEMBL7331145BOABOCUJCPRFAV-UHFFFAOYSA-N2-(3-hydroxypropyl)-8-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepin-1-one
Database identifiers
- PubChem CID
- 22905019
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
Related reactions
6 records
Compound notes
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