4-(3-hydroxy-3,5-dimethylhex-1-ynyl)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one

HCID 54530600
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Basic information

Standard SMILES
COc1cc[nH]c1C=C1C(=O)Nc2cccc(C#CC(C)(O)CC(C)C)c21
InChIKey
YWGIBFAWAHKPOM-UHFFFAOYSA-N
Molecular formula
C22H24N2O3
Average molar mass
364.4 g/mol

Names & identifiers

Preferred name
4-(3-hydroxy-3,5-dimethylhex-1-ynyl)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
IUPAC
4-(3-hydroxy-3,5-dimethylhex-1-ynyl)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one

Names & synonyms

SCHEMBL6979407

Database identifiers

PubChem CID
54530600

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

Related reactions

2 records
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Compound notes

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