ST053840
Basic information
- CAS
54609-79-9- Standard SMILES
CC(=O)c1c(C(C)=O)c(C)n(-c2ccccc2)c1C- InChIKey
BYOPNNPTZVDQQS-UHFFFAOYSA-N- Molecular formula
- C16H17NO2
- Average molar mass
- 255.31 g/mol
- Monoisotopic mass
- 255.12592879
Names & identifiers
- Preferred name
- ST053840
- IUPAC
- 1-(4-acetyl-2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone
Names & synonyms
54609-79-9ST053840DTXSID50350188RefChem:381414DTXCID703012581,1'-(2,5-Dimethyl-1-phenyl-1H-pyrrole-3,4-diyl)diethanone3,4-diacetyl-2,5-dimethyl-1-phenylpyrroleSCHEMBL11334221AKOS0242822211,1'-(2,5-Dimethyl-1-phenyl-1H-pyrrole-3,4-diyl)di(ethan-1-one)
Database identifiers
- CAS
54609-79-9- PubChem CID
- 675293
- DTXSID
DTXSID50350188
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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