Methyl 1-benzazepine-4-carboxylate
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Basic information
- Standard SMILES
COC(=O)C1=CC=Nc2ccccc2C1- InChIKey
JQQNSIYSJOCNCE-UHFFFAOYSA-N- Molecular formula
- C12H11NO2
- Average molar mass
- 201.22 g/mol
Names & identifiers
- Preferred name
- Methyl 1-benzazepine-4-carboxylate
- IUPAC
- methyl 5H-1-benzazepine-4-carboxylate
Names & synonyms
SCHEMBL5246019JQQNSIYSJOCNCE-UHFFFAOYSA-Nmethyl 1-benzazepine-4-carboxylate
Database identifiers
- PubChem CID
- 69369751
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 307
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Related reactions
1 records
Compound notes
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