5839-61-2
Product Name:
3-[5-(1H-Indole-3-yl)-2,3-dihydro-2-oxo-1H-pyrrole-3-ylidene]-1H-indole-2(2H)-one
Formula:
C20H13N3O2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 327.3 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 327.100776666 g/mol |
| Monoisotopic Mass | 327.100776666 g/mol |
| Topological Polar Surface Area | 81.2 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 721 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Deoxyviolacein is a member of the class of oxindoles resulting from formal oxidative coupling between the 3-position of 1,3-dihydro-2H-indol-2-one and the 3-position of 1,3-dihydro-2H-pyrrol-2-one, which is substituted at the 5 position by a 1H-indol-3-yl group, where the newly-formed double bond has E configuration. It has a role as a bacterial metabolite, an antibacterial agent and an antifungal agent. It is an olefinic compound, a member of oxindoles and a member of pyrroles. It is functionally related to a proviolacein.