3-[[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
Basic information
- CAS
866038-33-7- Standard SMILES
O=C1Nc2ccccc2C1=Cc1cc(C(=O)CCl)c[nH]1- InChIKey
TXAORZNEFJVBGJ-UHFFFAOYSA-N- Molecular formula
- C15H11ClN2O2
- Average molar mass
- 286.71 g/mol
Names & identifiers
- Preferred name
- 3-[[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
- IUPAC
- 3-[[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
- English name
- 3-[4-(2-Chloro-acetyl)-1H-pyrrol-2-ylmethylene]-1,3-dihydro-indol-2-one
- Molecular formula
- C15H11ClN2O2
- Molecular weight
- 286.71
Names & synonyms
3-((Z)-[4-(2-CHLOROACETYL)-1H-PYRROL-2-YL]METHYLIDENE)-1H-INDOL-2-ONE3-[4-(2-Chloro-acetyl)-1H-pyrrol-2-ylmethylene]-1,3-dihydro-indol-2-one2H-Indol-2-one, 3-[[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylene]-1,3-dihydro-(3Z)-3-{[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylidene}-2,3-dihydro-1H-indol-2-one
Database identifiers
- CAS
866038-33-7
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 62 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 449
Physicochemical properties
- Boiling point
- 598.8 · 598.8±50.0 °C(Predicted)
- Density
- 1.432 · 1.432±0.06 g/cm3(Predicted)
- pka
- 12.33 · 12.33±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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