Basic information
- CAS
66144-25-0- Standard SMILES
CC(=O)Cc1c(-c2ccc([N+](=O)[O-])cc2)cc(C)n1-c1cc(C)cc(C)c1- InChIKey
JVVKCOSMLOVIDI-UHFFFAOYSA-N- Molecular formula
- C22H22N2O3
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.16304257
Names & identifiers
- Preferred name
- 2-Propanone, 1-(1-(3,5-dimethylphenyl)-5-methyl-3-(4-nitrophenyl)-1H-pyrrol-2-yl)-
- IUPAC
- 1-[1-(3,5-dimethylphenyl)-5-methyl-3-(4-nitrophenyl)pyrrol-2-yl]propan-2-one
Names & synonyms
66144-25-02-Propanone, 1-(1-(3,5-dimethylphenyl)-5-methyl-3-(4-nitrophenyl)-1H-pyrrol-2-yl)-DTXSID809846171-[1-(3,5-Dimethylphenyl)-5-methyl-3-(4-nitrophenyl)-1H-pyrrol-2-yl]propan-2-one
Database identifiers
- CAS
66144-25-0- PubChem CID
- 181779
- DTXSID
DTXSID80984617
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 528
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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