8-(2,5-Dimethyl-pyrrol-1-yl)-1-methyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one
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Basic information
- Standard SMILES
Cc1ccc(C)n1-c1ccc2c(c1)N(C)C(=O)CCC2- InChIKey
MBQZMUUILVSUJA-UHFFFAOYSA-N- Molecular formula
- C17H20N2O
- Average molar mass
- 268.35 g/mol
- Monoisotopic mass
- 268.15756327
Names & identifiers
- Preferred name
- 8-(2,5-Dimethyl-pyrrol-1-yl)-1-methyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one
- IUPAC
- 8-(2,5-dimethylpyrrol-1-yl)-1-methyl-4,5-dihydro-3H-1-benzazepin-2-one
Names & synonyms
SCHEMBL2061819MBQZMUUILVSUJA-UHFFFAOYSA-N8-(2,5-Dimethyl-pyrrol-1-yl)-1-methyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one
Database identifiers
- PubChem CID
- 67264201
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 25.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 360
Related reactions
2 records
Compound notes
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