2,5-Dimethylpyrrol-3-yl-2-furylketone
Basic information
- CAS
23257-55-8- Standard SMILES
Cc1cc(C(=O)c2ccco2)c(C)[nH]1- InChIKey
HBRPUEJBGQNAKZ-UHFFFAOYSA-N- Molecular formula
- C11H11NO2
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.07897859
Names & identifiers
- Preferred name
- 2,5-Dimethylpyrrol-3-yl-2-furylketone
- IUPAC
- (2,5-dimethyl-1H-pyrrol-3-yl)-(furan-2-yl)methanone
Names & synonyms
2,5-Dimethylpyrrol-3-yl-2-furylketone23257-55-8UNII-2832GUY27W2832GUY27WDTXSID70177834Methanone, (2,5-dimethyl-1H-pyrrol-3-yl)-2-furanyl-KETONE, 2,5-DIMETHYLPYRROL-3-YL 2-FURYLRefChem:82974DTXCID30100325(2,5-dimethyl-1H-pyrrol-3-yl)(furan-2-yl)methanoneQ27254255
Database identifiers
- CAS
23257-55-8- PubChem CID
- 31784
- DTXSID
DTXSID70177834- UNII
- 2832GUY27W
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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