2-Methyl-2,3-dihydro-1H-isoindol-1-one
Basic information
- CAS
5342-91-6- Standard SMILES
CN1Cc2ccccc2C1=O- InChIKey
JHMBTUMIVBSJFS-UHFFFAOYSA-N- Molecular formula
- C9H9NO
- Average molar mass
- 147.17 g/mol
- Monoisotopic mass
- 147.06841391
Names & identifiers
- Preferred name
- 2-Methyl-2,3-dihydro-1H-isoindol-1-one
- IUPAC
- 2-methyl-3H-isoindol-1-one
- English name
- 2-Methylisoindolin-1-one
- Molecular formula
- C9H9NO
- Molecular weight
- 147.17
Names & synonyms
5342-91-62-methyl-2,3-dihydro-1h-isoindol-1-oneDTXSID60968091RefChem:1063656DTXCID9013956792-methylisoindolin-1-one2-methyl-3H-isoindol-1-one2-Methyl-3~{h}-Isoindol-1-One2-methyl-2,3-dihydro-isoindol-1-one2,3-DIHYDRO-2-METHYL-1H-ISOINDOL-1-ONENSC36772-methylphthalimidine
Show more names
1H-Isoindol-1-one, 2,3-dihydro-2-methyl-
1H-Isoindol-1-one,2,3-dihydro-2-methyl-SCHEMBL470341CHEMBL502075SCHEMBL1500107SCHEMBL3169575SCHEMBL5507146SCHEMBL18000490SCHEMBL26120855
Database identifiers
- CAS
5342-91-6- PubChem CID
- 220657
- DTXSID
DTXSID60968091- ChEMBL
CHEMBL502075- Nikkaji
- J418.390H
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 178
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP0.87
Physicochemical properties
- Melting point
- 112 · 112-114 °C(Solv: benzene (71-43-2); ligroine (8032-32-4))
- Boiling point
- 135 · 135-140 °C(Press: 2 Torr)
- Density
- 1.167 · 1.167±0.06 g/cm3(Predicted)
- pka
- -1.17 · -1.17±0.20(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…