1.0 2011-09-21 00:39:46 UTC 2015-07-21 06:57:59 UTC FDB024089 2-Propyn-1-al 2-Propyn-1-al is involved in the propanoate metabolism system. It is created from 2-Propyn-1-ol through the action of alcohol dehydrogenase [EC:1.1.99.8]. 2-Propyn-1-al is converted to propynoate by aldehyde dehydrogenase [EC:1.2.1.3]. [HMDB] Formylacetylene Prop-2-ynal Propargylaldehyde Propioaldehyde Propiolaldehyde C3H2O 54.0474 54.010564686 prop-2-ynal propiolaldehyde 624-67-9 O=CC#C InChI=1S/C3H2O/c1-2-3-4/h1,3H IJNJLGFTSIAHEA-UHFFFAOYSA-N belongs to the class of organic compounds known as acetylides. Acetylides are compounds arising by replacement of one or both hydrogen atoms of acetylene (ethyne) by a metal or other cationic group. E.g. NaC#CH monosodium acetylide. By extension, analogous compounds derived from terminal acetylenes, RC#CH. The class is limited here to derivatives of acetylene where the hydrogen atom is replaced with an element with similar or lower electronegativity that carbon. Acetylides Organic compounds Acetylides Aliphatic acyclic compounds Hydrocarbon derivatives Organic oxides Short-chain aldehydes Acetylide Aldehyde Aliphatic acyclic compound Carbonyl group Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Short-chain aldehyde terminal acetylenic compound ynal Solid logp -0.19 ALOGPS logs -1.70 ALOGPS solubility 1.09e+00 g/l ALOGPS logp 0.023 ChemAxon pka_strongest_acidic 18.84 ChemAxon pka_strongest_basic -5.5 ChemAxon iupac prop-2-ynal ChemAxon average_mass 54.0474 ChemAxon mono_mass 54.010564686 ChemAxon smiles O=CC#C ChemAxon formula C3H2O ChemAxon inchi InChI=1S/C3H2O/c1-2-3-4/h1,3H ChemAxon inchikey IJNJLGFTSIAHEA-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 14.86 ChemAxon polarizability 4.92 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 2424 Specdb::CMs 24627 Specdb::CMs 149691 Specdb::NmrOneD 91572 Specdb::NmrOneD 91573 Specdb::NmrOneD 91574 Specdb::NmrOneD 91575 Specdb::NmrOneD 91576 Specdb::NmrOneD 91577 Specdb::NmrOneD 91578 Specdb::NmrOneD 91579 Specdb::NmrOneD 91580 Specdb::NmrOneD 91581 Specdb::NmrOneD 91582 Specdb::NmrOneD 91583 Specdb::NmrOneD 91584 Specdb::NmrOneD 91585 Specdb::NmrOneD 91586 Specdb::NmrOneD 91587 Specdb::NmrOneD 91588 Specdb::NmrOneD 91589 Specdb::NmrOneD 91590 Specdb::NmrOneD 91591 Specdb::MsMs 320533 Specdb::MsMs 320534 Specdb::MsMs 320535 Specdb::MsMs 367915 Specdb::MsMs 367916 Specdb::MsMs 367917 Specdb::MsMs 2351650 Specdb::MsMs 2351651 Specdb::MsMs 2351652 Specdb::MsMs 2584505 Specdb::MsMs 2584506 Specdb::MsMs 2584507 HMDB06803 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823