N-[(3aS,7aS)-5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl]acetamide
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Basic information
- CAS
496953-84-5- Standard SMILES
CC(=O)NC1C(C)=CC[C@@H]2C(=O)NC(=O)[C@H]12- InChIKey
RLISSSKAUKMTEJ-JVIMKECRSA-N- Molecular formula
- C11H14N2O3
- Average molar mass
- 222.24 g/mol
Names & identifiers
- Preferred name
- N-[(3aS,7aS)-5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl]acetamide
- IUPAC
- N-[(3aS,7aS)-5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl]acetamide
- English name
- Acetamide, N-[(3aR,7aR)-2,3,3a,4,7,7a-hexahydro-5-methyl-1,3-dioxo-1H-isoindol-4-yl]-, rel- (9CI)
- Molecular formula
- C11H14N2O3
- Molecular weight
- 222.24
Names & synonyms
Acetamide, N-[(3aR,7aR)-2,3,3a,4,7,7a-hexahydro-5-methyl-1,3-dioxo-1H-isoindol-4-yl]-, rel-Acetamide, N-[(3aR,7aR)-2,3,3a,4,7,7a-hexahydro-5-methyl-1,3-dioxo-1H-isoindol-4-yl]-, rel- (9CI)
Database identifiers
- CAS
496953-84-5
Properties
Computed structural propertiesFilling in
- XLogP
- -1
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 400
Physicochemical properties
- Boiling point
- 515.709 · 515.709±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.273 · 1.273±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.124 · 11.124±0.60(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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