1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrahydro-2-(2-pyridinyl)-
Basic information
- CAS
61356-07-8- Standard SMILES
O=C1C2=C(CCCC2)C(=O)N1c1ccccn1- InChIKey
QPBUAWLNGZJUEM-UHFFFAOYSA-N- Molecular formula
- C13H12N2O2
- Average molar mass
- 228.25 g/mol
- Monoisotopic mass
- 228.08987763
Names & identifiers
- Preferred name
- 1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrahydro-2-(2-pyridinyl)-
- IUPAC
- 2-pyridin-2-yl-4,5,6,7-tetrahydroisoindole-1,3-dione
Names & synonyms
61356-07-81H-ISOINDOLE-1,3(2H)-DIONE, 4,5,6,7-TETRAHYDRO-2-(2-PYRIDINYL)-4,5,6,7-Tetrahydro-2-(2-pyridinyl)-1H-isoindole-1,3(2H)-dioneDTXSID80210266RefChem:239349DTXCID801327572-(Pyridin-2-yl)-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione
Database identifiers
- CAS
61356-07-8- PubChem CID
- 43614
- DTXSID
DTXSID80210266
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 50.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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