Basic information
- Standard SMILES
CCCCC[C@@H](O)C#Cc1cccc2c1/C(=C/c1[nH]ccc1OC)C(=O)N2- InChIKey
KJYKZFIYXQOUGB-DXFLKOCDSA-N- Molecular formula
- C22H24N2O3
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.17869263
Names & identifiers
- Preferred name
- (r)-(z)-1,3-Dihydro-4-(3-hydroxy-1-octynyl)-3-[(3-methoxy-1h-pyrrol-2-yl)methylene]-2h-indol-2-one
- IUPAC
- (3Z)-4-[(3R)-3-hydroxyoct-1-ynyl]-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
Names & synonyms
SCHEMBL6977391KJYKZFIYXQOUGB-DXFLKOCDSA-N(r)-(z)-1,3-dihydro-4-(3-hydroxy-1-octynyl)-3-[(3-methoxy-1h-pyrrol-2-yl)methylene]-2h-indol-2-one
Database identifiers
- PubChem CID
- 9841999
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 618
Related reactions
3 records
Compound notes
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