Basic information
- Standard SMILES
CCN(CC)C(=O)N[C@H]1C[C@@H]2c3cccc4[nH]c(C#N)c(c34)C[C@H]2N(C)C1- InChIKey
QGDNNSXXNUORAC-ZBQZNYHESA-N- Molecular formula
- C21H27N5O
- Average molar mass
- 365.5 g/mol
- Monoisotopic mass
- 365.2215605
Names & identifiers
- Preferred name
- 3-(2-Cyano-6-methyl-8alpha-ergolinyl)-1,1-diethylurea
- IUPAC
- 3-[(6aR,9S,10aR)-5-cyano-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
Names & synonyms
QGDNNSXXNUORAC-ZBQZNYHESA-N3-(2-cyano-6-methyl-8alpha-ergolinyl)-1,1-diethylurea
Database identifiers
- PubChem CID
- 13559014
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 611
Related reactions
2 records
Compound notes
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