1-(7,7A-dihydro-1H-indol-1-yl)ethanone
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Basic information
- CAS
41524-45-2- Standard SMILES
CC(=O)N1C=CC2=CC=CCC21- InChIKey
QSHKPHJJQQCBDK-UHFFFAOYSA-N- Molecular formula
- C10H11NO
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.08406397
Names & identifiers
- Preferred name
- 1-(7,7A-dihydro-1H-indol-1-yl)ethanone
- IUPAC
- 1-(7,7a-dihydroindol-1-yl)ethanone
- English name
- 1H-Indole, 1-acetyl-7,7a-dihydro- (9CI)
- Molecular formula
- C10H11NO
- Molecular weight
- 161.2
Names & synonyms
41524-45-21-(7,7A-dihydro-1H-indol-1-yl)ethanoneReaxys ID: 16371581H-Indole, 1-acetyl-7,7a-dihydro- (9CI)Ethanone, 1-(7,7a-dihydro-1H-indol-1-yl)-
Database identifiers
- CAS
41524-45-2- PubChem CID
- 45086211
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- Boiling point
- 364.6 · 364.6±22.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- -0.52 · -0.52±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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