Basic information
- CAS
65991-90-4- Standard SMILES
O=C(CN1C(=O)c2ccccc2C1=O)Cn1ccnc1- InChIKey
SJZGSHNNURCKQD-UHFFFAOYSA-N- Molecular formula
- C14H11N3O3
- Average molar mass
- 269.25 g/mol
- Monoisotopic mass
- 269.08004122
Names & identifiers
- Preferred name
- 2-[3-(1H-Imidazol-1-yl)-2-oxopropyl]-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-(3-imidazol-1-yl-2-oxopropyl)isoindole-1,3-dione
Names & synonyms
65991-90-4DTXSID104952412-[3-(1H-Imidazol-1-yl)-2-oxopropyl]-1H-isoindole-1,3(2H)-dione
Database identifiers
- CAS
65991-90-4- PubChem CID
- 12377915
- DTXSID
DTXSID10495241
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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