Basic information
- CAS
54254-55-6- Standard SMILES
COc1ccc(C2=[N+]([O-])C(C)(C)C(c3ccccc3)C2)cc1- InChIKey
NZNKHJOMLMNGAW-UHFFFAOYSA-N- Molecular formula
- C19H21NO2
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.15722891
Names & identifiers
- Preferred name
- 5-(4-Methoxyphenyl)-2,2-dimethyl-1-oxido-3-phenyl-3,4-dihydropyrrol-1-ium
- IUPAC
- 5-(4-methoxyphenyl)-2,2-dimethyl-1-oxido-3-phenyl-3,4-dihydropyrrol-1-ium
Names & synonyms
54254-55-6NSC3100305-(4-methoxyphenyl)-2,2-dimethyl-1-oxido-3-phenyl-3,4-dihydropyrrol-1-iumDTXSID60317005NSC-3100305-(4-Methoxyphenyl)-2,2-dimethyl-1-oxo-3-phenyl-3,4-dihydro-2H-1lambda~5~-pyrrole
Database identifiers
- CAS
54254-55-6- PubChem CID
- 329018
- DTXSID
DTXSID60317005
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 38 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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