Ergoline-6-carbonitrile, 8-methyl-, (8-beta)-
Basic information
- CAS
63719-19-7- Standard SMILES
C[C@@H]1CC2c3cccc4[nH]cc(c34)C[C@H]2N(C#N)C1- InChIKey
SYQUHRNOAYZARM-CCWWQKHMSA-N- Molecular formula
- C16H17N3
- Average molar mass
- 251.33 g/mol
- Monoisotopic mass
- 251.14224756
Names & identifiers
- Preferred name
- Ergoline-6-carbonitrile, 8-methyl-, (8-beta)-
- IUPAC
- (6aR,9R)-9-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-7-carbonitrile
Names & synonyms
Ergoline-6-carbonitrile, 8-methyl-, (8-beta)-63719-19-7RefChem:10841946-Cyano-6-norfestuclavine(8-beta)-8-Methylergoline-6-carbonitrile8-Methylergoline-6-carbonitrileDTXSID50980161(10xi)-8beta-Methylergoline-6-carbonitrile
Database identifiers
- CAS
63719-19-7- PubChem CID
- 3047553
- DTXSID
DTXSID50980161
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 42.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 411
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Compound notes
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