8-Methyl-1-(prop-2-en-1-yl)ergoline-6-carbonitrile
Basic information
- CAS
98931-07-8- Standard SMILES
C=CCn1cc2c3c(cccc31)C1C[C@@H](C)CN(C#N)[C@@H]1C2- InChIKey
ADCDISFHDLKFFS-DQYPLQBXSA-N- Molecular formula
- C19H21N3
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.17354768
Names & identifiers
- Preferred name
- 8-Methyl-1-(prop-2-en-1-yl)ergoline-6-carbonitrile
- IUPAC
- (6aR,9R)-9-methyl-4-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-7-carbonitrile
Names & synonyms
DTXSID709129848-Methyl-1-(prop-2-en-1-yl)ergoline-6-carbonitrileRefChem:1074736DTXCID101341997CCRIS 6644UNII-XSH7CU4WH0(8-beta)-8-Methyl-1-(2-propenyl)ergoline-6-carbonitrileErgoline-6-carbonitrile, 8-methyl-1-(2-propenyl)-, (8-beta)-(10xi)-8beta-Methyl-1-(prop-2-en-1-yl)ergoline-6-carbonitrile
Database identifiers
- CAS
98931-07-8- PubChem CID
- 150508
- DTXSID
DTXSID70912984
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 32 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 492
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…