Basic information
- Standard SMILES
O=C1NCCCc2cc(I)ccc21- InChIKey
VPXDDOXGAKJMQF-UHFFFAOYSA-N- Molecular formula
- C10H10INO
- Average molar mass
- 287.1 g/mol
- Monoisotopic mass
- 286.98071
Names & identifiers
- Preferred name
- 7-Iodo-2,3,4,5-tetrahydro-1H-benzo[c]azepin-1-one
- IUPAC
- 7-iodo-2,3,4,5-tetrahydro-2-benzazepin-1-one
Names & synonyms
7-Iodo-2,3,4,5-tetrahydro-1H-benzo[c]azepin-1-one1167415-95-3SCHEMBL2995459VPXDDOXGAKJMQF-UHFFFAOYSA-N7-Iodo-2,3,4,5-tetrahydro-1H-2-benzazepin-1-one
Database identifiers
- PubChem CID
- 59403446
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 207
Related reactions
4 records
Compound notes
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