3 ms·

I like this but it would be even more fun if it displayed the IUPAC names of the chemicals it generated because they would be absolutely ludicrous.

LegionMammal978 5y ago
As it happens, I know of no current system, free or proprietary, which can correctly generate arbitrary IUPAC names. All of them I have seen mess up things such as the nested enclosing mark pattern, stereodescriptor placement (and resulting enclosing mark modifications), lack of enclosing marks, lack of stereodescriptors for undefined stereocenters, lack of omission of locants, locants on substituent groups, use of multiplicative vs. substitutive nomenclature, nomenclature for aldehydes and polynuclear noncarbon oxoacids, cyclic phane nomenclature, italicized letters, and a myriad other parts of IUPAC nomenclature that the Blue Book specifies very clearly. Putting that rant aside, most of these chemicals are small enough to have rather tame IUPAC names. As an example, these are the IUPAC names of the first five molecules I loaded (disregarding stereochemistry): N-{1-[(2-fluorophenyl)methyl]-1H-pyrazol-4-yl}-2-[(pyridin-3-yl)oxy]benzamide N-ethyl-1-{5-[(2-methylcyclopentyl)methoxy]pyridin-2-yl}ethan-1-amine 2-fluoro-N-{4-[3-(hydroxymethyl)azetidine-1-carbonyl]phenyl}benzamide N-(8-methoxy-2H-[1,3]dioxolo[4,5-c]quinolin-7-yl)-2-methylcyclopropane-1-carboxamide 1-ethyl-N-(2,3,5-trimethylcyclohexyl)piperidin-3-amine If you want an example of an absolutely ludicrous IUPAC name, I'd suggest the one I put onto https://en.wikipedia.org/wiki/Maitotoxin https://en.wikipedia.org/wiki/Maitotoxin earlier this month.
- TuringTest 5y ago
  At what point a 'name' becomes an 'infodump'? :-D Or more aptly, what constitutes a single molecule, rather than a complex structure built from a repetitive pattern of almost-equal components?
  - curryst 5y ago
    > Or more aptly, what constitutes a single molecule, rather than a complex structure built from a repetitive pattern of almost-equal components? The bonds. Not a chemist, but if I remember enough chem 101, all molecules are bonded together by either covalent or ionic bonds between the individual atoms. There are names for some of the common "building blocks" of molecules; i.e. a methyl group is a single carbon with 3 hydrogens bound onto it, and an arbitrary atom on the 4th side. A "complex structure built from a repetitive pattern of almost-equal components" sounds more like a crystal. There are still individual molecules in a crystal, but the molecules are arranged in a precise and repeating pattern.

LegionMammal978 5y ago

As it happens, I know of no current system, free or proprietary, which can correctly generate arbitrary IUPAC names. All of them I have seen mess up things such as the nested enclosing mark pattern, stereodescriptor placement (and resulting enclosing mark modifications), lack of enclosing marks, lack of stereodescriptors for undefined stereocenters, lack of omission of locants, locants on substituent groups, use of multiplicative vs. substitutive nomenclature, nomenclature for aldehydes and polynuclear noncarbon oxoacids, cyclic phane nomenclature, italicized letters, and a myriad other parts of IUPAC nomenclature that the Blue Book specifies very clearly. Putting that rant aside, most of these chemicals are small enough to have rather tame IUPAC names. As an example, these are the IUPAC names of the first five molecules I loaded (disregarding stereochemistry): N-{1-[(2-fluorophenyl)methyl]-1H-pyrazol-4-yl}-2-[(pyridin-3-yl)oxy]benzamide N-ethyl-1-{5-[(2-methylcyclopentyl)methoxy]pyridin-2-yl}ethan-1-amine 2-fluoro-N-{4-[3-(hydroxymethyl)azetidine-1-carbonyl]phenyl}benzamide N-(8-methoxy-2H-[1,3]dioxolo[4,5-c]quinolin-7-yl)-2-methylcyclopropane-1-carboxamide 1-ethyl-N-(2,3,5-trimethylcyclohexyl)piperidin-3-amine If you want an example of an absolutely ludicrous IUPAC name, I'd suggest the one I put onto https://en.wikipedia.org/wiki/Maitotoxin https://en.wikipedia.org/wiki/Maitotoxin earlier this month.

TuringTest 5y ago
At what point a 'name' becomes an 'infodump'? :-D Or more aptly, what constitutes a single molecule, rather than a complex structure built from a repetitive pattern of almost-equal components?
- curryst 5y ago
  > Or more aptly, what constitutes a single molecule, rather than a complex structure built from a repetitive pattern of almost-equal components? The bonds. Not a chemist, but if I remember enough chem 101, all molecules are bonded together by either covalent or ionic bonds between the individual atoms. There are names for some of the common "building blocks" of molecules; i.e. a methyl group is a single carbon with 3 hydrogens bound onto it, and an arbitrary atom on the 4th side. A "complex structure built from a repetitive pattern of almost-equal components" sounds more like a crystal. There are still individual molecules in a crystal, but the molecules are arranged in a precise and repeating pattern.