Basic information
- CAS
61152-63-4- Standard SMILES
O=C1C2CC=CCC2C(=O)N1Nc1ccccc1- InChIKey
IVHYKVOJOGRKBX-UHFFFAOYSA-N- Molecular formula
- C14H14N2O2
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.10552769
Names & identifiers
- Preferred name
- 3a,4,7,7a-Tetrahydro-2-(phenylamino)-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-anilino-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Names & synonyms
61152-63-41H-ISOINDOLE-1,3(2H)-DIONE, 3a,4,7,7a-TETRAHYDRO-2-(PHENYLAMINO)-3a,4,7,7a-Tetrahydro-2-(phenylamino)-1H-isoindole-1,3(2H)-dioneRefChem:10688642-(phenylamino)-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione2-anilino-3a,4,7,7a-tetrahydroisoindole-1,3-dioneMFCD017179702-anilino-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione2-(phenylamino)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dionePhthalimide, 3a,4,7,7a-tetrahydro-N-anilino-Oprea1_208289MLS000516416
Show more names
F1189-0026CHEMBL1428069DTXSID30976668HMS1788K13HMS2640L11AKOS001039565AKOS016340015NCGC00246083-01
Database identifiers
- CAS
61152-63-4- PubChem CID
- 43555
- DTXSID
DTXSID30976668- ChEMBL
CHEMBL1428069
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…