Basic information
- Standard SMILES
COc1cc[nH]c1/C=C1\C(=O)Nc2cccc(C#CC(C)(O)CC(C)C)c21- InChIKey
YWGIBFAWAHKPOM-VBKFSLOCSA-N- Molecular formula
- C22H24N2O3
- Average molar mass
- 364.4 g/mol
Names & identifiers
- Preferred name
- rac-(Z)-1,3-dihydro-4-(3,5-dimethyl-3-hydroxy-1-hexynyl)-3-[(3-methoxy-1H-pyrrol-2-yl)methylene]-2H-indol-2-one
- IUPAC
- (3Z)-4-(3-hydroxy-3,5-dimethylhex-1-ynyl)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
Names & synonyms
SCHEMBL6979399YWGIBFAWAHKPOM-VBKFSLOCSA-Nrac-(Z)-1,3-dihydro-4-(3,5-dimethyl-3-hydroxy-1-hexynyl)-3-[(3-methoxy-1H-pyrrol-2-yl)methylene]-2H-indol-2-one
Database identifiers
- PubChem CID
- 9841998
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 659
Related reactions
3 records
Linked notes
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