5-(2-Methoxyphenyl)-2,2-dimethyl-1-oxo-3-phenyl-3,4-dihydro-2H-1lambda~5~-pyrrole
Basic information
- CAS
54326-38-4- Standard SMILES
COc1ccccc1C1=[N+]([O-])C(C)(C)C(c2ccccc2)C1- InChIKey
SDMVDLGNJLVBDT-UHFFFAOYSA-N- Molecular formula
- C19H21NO2
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.15722891
Names & identifiers
- Preferred name
- 5-(2-Methoxyphenyl)-2,2-dimethyl-1-oxo-3-phenyl-3,4-dihydro-2H-1lambda~5~-pyrrole
- IUPAC
- 5-(2-methoxyphenyl)-2,2-dimethyl-1-oxido-3-phenyl-3,4-dihydropyrrol-1-ium
Names & synonyms
54326-38-4NSC310031DTXSID20317006NSC-3100315-(2-Methoxyphenyl)-2,2-dimethyl-1-oxo-3-phenyl-3,4-dihydro-2H-1lambda~5~-pyrrole
Database identifiers
- CAS
54326-38-4- PubChem CID
- 329019
- DTXSID
DTXSID20317006
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
- 423
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Compound notes
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