2-methylpropyl 2-(naphthalen-1-yl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
Basic information
- CAS
301658-15-1- Standard SMILES
CC(C)COC(=O)c1ccc2c(c1)C(=O)N(c1cccc3ccccc13)C2=O- InChIKey
PZXMLFKKUWMNEO-UHFFFAOYSA-N- Molecular formula
- C23H19NO4
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 373.13140809
Names & identifiers
- Preferred name
- 2-methylpropyl 2-(naphthalen-1-yl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
- IUPAC
- 2-methylpropyl 2-naphthalen-1-yl-1,3-dioxoisoindole-5-carboxylate
- English name
- Isobutyl 2-(1-naphthyl)-1,3-dioxo-5-isoindolinecarboxylate
- Molecular formula
- C23H19NO4
- Molecular weight
- 373.4
Names & synonyms
2-methylpropyl 2-(naphthalen-1-yl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylateisobutyl 2-(1-naphthyl)-1,3-dioxo-5-isoindolinecarboxylateOprea1_640088Oprea1_850741STK372163AKOS000734799EU-0034387ST50742305AK-918/106570262-methylpropyl 2-naphthyl-1,3-dioxobenzo[c]azoline-5-carboxylate1H-Isoindole-5-carboxylic acid, 2,3-dihydro-2-(1-naphthalenyl)-1,3-dioxo-, 2-methylpropyl ester
Database identifiers
- CAS
301658-15-1- PubChem CID
- 983583
- EC Number
- 163-227-5
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 630
Physicochemical properties
- Boiling point
- 571.066 · 571.066±52.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.294 · 1.294±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -3.293 · -3.293±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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