1-Butyl-3-[4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxyindol-2-one
Basic information
- CAS
689740-72-5- Standard SMILES
CCCCN1C(=O)C(O)(CC(=O)C=Cc2ccco2)c2ccccc21- InChIKey
IWEIAQWFMZBBRF-UHFFFAOYSA-N- Molecular formula
- C20H21NO4
- Average molar mass
- 339.4 g/mol
Names & identifiers
- Preferred name
- 1-Butyl-3-[4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxyindol-2-one
- IUPAC
- 1-butyl-3-[4-(furan-2-yl)-2-oxobut-3-enyl]-3-hydroxyindol-2-one
- English name
- 1-butyl-3-[4-(2-furyl)-2-oxo-3-butenyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
- Molecular formula
- C20H21NO4
- Molecular weight
- 339.39
Names & synonyms
1-butyl-3-[4-(2-furyl)-2-oxo-3-butenyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
Database identifiers
- CAS
689740-72-5
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 532
Physicochemical properties
- Boiling point
- 591.893 · 591.893±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.968 · 10.968±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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