8H-5,9-Methanopyrrolo[2,3-c]azocine
Basic information
- CAS
83693-82-7- Standard SMILES
C1=CC2=Cc3cc[nH]c3C(=N1)C2- InChIKey
ROCOYVRJZKYKNK-UHFFFAOYSA-N- Molecular formula
- C10H8N2
- Average molar mass
- 156.18 g/mol
- Monoisotopic mass
- 156.06874826
Names & identifiers
- Preferred name
- 8H-5,9-Methanopyrrolo[2,3-c]azocine
- IUPAC
- 3,11-diazatricyclo[6.3.1.02,6]dodeca-1(11),2(6),4,7,9-pentaene
- English name
- 5,9-Methano-1H-pyrrolo[2,3-c]azocine(9CI)
- Molecular formula
- C10H8N2
- Molecular weight
- 0
Names & synonyms
83693-82-78H-5,9-Methanopyrrolo[2,3-c]azocineDTXSID306670695,9-Methano-1H-pyrrolo[2,3-c]azocine(9CI)
Database identifiers
- CAS
83693-82-7- PubChem CID
- 136229062
- DTXSID
DTXSID30667069
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 299
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Compound notes
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