3-Methyl-1-isoindolinone
Basic information
- CAS
6091-76-5- Standard SMILES
CC1NC(=O)c2ccccc21- InChIKey
VNPWIDIVQOFLQS-UHFFFAOYSA-N- Molecular formula
- C9H9NO
- Average molar mass
- 147.17 g/mol
- Monoisotopic mass
- 147.06841391
Names & identifiers
- Preferred name
- 3-Methyl-1-isoindolinone
- IUPAC
- 3-methyl-2,3-dihydroisoindol-1-one
- English name
- 1H-Isoindol-1-one, 2,3-dihydro-3-methyl-
- Molecular formula
- C9H9NO
- Molecular weight
- 147.17
Names & synonyms
6091-76-51H-Isoindol-1-one, 2,3-dihydro-3-methyl-2,3-Dihydro-3-methyl-1H-isoindol-1-one3-Methylphthalimidine3-Methyl-1-isoindolinoneILR0Q9KB5TUNII-ILR0Q9KB5TRefChem:198337(+-)-3-METHYL-1-OXOISOINDOLINE3-methylisoindolin-1-one3-methyl-2,3-dihydroisoindol-1-oneMFCD18417614
Show more names
(+/-)-3-Methyl-1-oxoisoindoline3R-Methyl-2,3-dihydro-isoindol-1-one3-Methylisoindolinone3-methyl-2,3-dihydro-1H-isoindol-1-oneSCHEMBL1708832SCHEMBL17201050SCHEMBL20505060SCHEMBL29695366
Database identifiers
- CAS
6091-76-5- PubChem CID
- 11286552
- UNII
- ILR0Q9KB5T
- Nikkaji
- J1.289.104K
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- FDA UNII
- 0 Q9KB5T · ILR0Q9KB5T
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P313-P337+P313-P362-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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