1-acetyl-3,3a,4,5,6,7a-hexahydro-2H-indol-7-one
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Basic information
- CAS
104397-91-3- Standard SMILES
CC(=O)N1CCC2CCCC(=O)C21- InChIKey
KVKZRYHEJFOFHF-UHFFFAOYSA-N- Molecular formula
- C10H15NO2
- Average molar mass
- 181.23 g/mol
Names & identifiers
- Preferred name
- 1-acetyl-3,3a,4,5,6,7a-hexahydro-2H-indol-7-one
- IUPAC
- 1-acetyl-3,3a,4,5,6,7a-hexahydro-2H-indol-7-one
- English name
- 7(4H)-Indolinone,1-acetyltetrahydro-(6CI)
- Molecular formula
- C10H15NO2
- Molecular weight
- 181.23
Names & synonyms
7H-Indol-7-one, 1-acetyloctahydro-7(4H)-Indolinone,1-acetyltetrahydro-(6CI)
Database identifiers
- CAS
104397-91-3
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Boiling point
- 349.1 · 349.1±25.0 °C(Predicted)
- Density
- 1.136 · 1.136±0.06 g/cm3(Predicted)
- pka
- -0.19 · -0.19±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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