Borreline
[(2S,3R)-3-ethenyl-3,5-dimethyl-2,4-dihydropyrrol-2-yl]-(1H-indol-3-yl)methanone
Also Known As: BORRELINE|J2.767.853J|[(2S,3R)-3-ethenyl-3,5-dimethyl-2,4-dihydropyrrol-2-yl]-(1H-indol-3-yl)methanone|[(2S,3R)-3,5-dimethyl-3-vinyl-2,4-dihydropyrrol-2-yl]-(1H-indol-3-yl)methanone|[(2S,3R)-3-Ethenyl-3,5-dimethyl-3,4-dihydro-2H-pyrrol-2-yl](1H-indol-3-yl)methanone|1H-Indole-3-yl[(2S,3R)-3-ethenyl-3,4-dihydro-3,5-dimethyl-2H-pyrrole-2-yl]methanone|3-[(2S,3R)-3-ethenyl-3,5-dimethyl-3,4-dihydro-2H-pyrrole-2-carbonyl]-1H-indole|Methanone, (3-ethenyl-3,4-dihydro-3,5-dimethyl-2H-pyrrol-2-yl)-1H-indol-3-yl-, (2S-trans)-
| Molecular Formula | C17H18N2O |
|---|---|
| Molecular Weight | 266.1419 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 45.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.1419 |
| Monoisotopic Mass | 266.1419 |
| Heavy Atoms | 20 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 64643-94-3 |
|---|---|
| SMILES | CC1=N[C@@H]([C@@](C1)(C)C=C)C(=O)C2=CNC3=CC=CC=C32 |
| InChIKey | WQTYIKZACFUZJB-SJORKVTESA-N |
Product Overview
Borreline (CAS 64643-94-3), with molecular formula C17H18N2O and molecular weight 266.1419 g/mol. IUPAC: [(2S,3R)-3-ethenyl-3,5-dimethyl-2,4-dihydropyrrol-2-yl]-(1H-indol-3-yl)methanone.