chem-bla-ics
Published August 6, 2009 | https://doi.org/10.59350/hf28w-ngd39

ChemSpider fail #1: SMILES

Creators & Contributors

  • 1. ROR icon Uppsala University

Cheminformatics is difficult, I know. But I thought I used a simple SMILES when I typed C1CNCC1, but ChemSpider got it wrong :) The correct structure should be pyrrolidine, not pyrrole. I always mix up those names, so defaulted to ChemSpider to give me the correct name, which ChemSpider knows and where it also has the SMILES correct… there just seems something wrong with there search dialog:

There has been some talk about a ChemSpider Bugzilla, but I don't think this has materialized yet, and I'll have the default to info-at-chemspider-dot-com …

Additional details

Description

Cheminformatics is difficult, I know. But I thought I used a simple SMILES when I typed C1CNCC1, but ChemSpider got it wrong :) The correct structure should be pyrrolidine, not pyrrole.

Identifiers

GUID
https://doi.org/10.59350/hf28w-ngd39
URL
https://chem-bla-ics.linkedchemistry.info/2009/08/06/chemspider-fail-1-smiles.html

Dates

Issued
2009-08-06T02:00:00
Updated
2009-08-06T02:00:00