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

HCID 9841998

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

Related reactions

3 records

Linked notes

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