1.0 2026-09-22 03:26:10 UTC 2026-09-22 03:26:10 UTC FDB117613 Isatin 1H-indole-2,3-dione indoline-2,3-dione C8H5NO2 147.1308 147.032028409 2,3-dihydro-1H-indole-2,3-dione isatin O=C1NC2=CC=CC=C2C1=O InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11) JXDYKVIHCLTXOP-UHFFFAOYSA-N belongs to the class of organic compounds known as indolines. Indolines are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole. Indolines Organic compounds Organoheterocyclic compounds Indoles and derivatives Indolines Aromatic heteropolycyclic compounds Aryl ketones Azacyclic compounds Benzenoids Hydrocarbon derivatives Lactams Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides Vinylogous amides Aromatic heteropolycyclic compound Aryl ketone Azacycle Benzenoid Carbonyl group Carboxamide group Carboxylic acid derivative Dihydroindole Hydrocarbon derivative Ketone Lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary carboxylic acid amide Vinylogous amide a small molecule indoledione logp 0.89 ALOGPS logs -1.72 ALOGPS solubility 2.77e+00 g/l ALOGPS logp 1.6 ChemAxon pka_strongest_acidic 8.93 ChemAxon pka_strongest_basic -5.6 ChemAxon iupac 2,3-dihydro-1H-indole-2,3-dione ChemAxon average_mass 147.1308 ChemAxon mono_mass 147.032028409 ChemAxon smiles O=C1NC2=CC=CC=C2C1=O ChemAxon formula C8H5NO2 ChemAxon inchi InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11) ChemAxon inchikey JXDYKVIHCLTXOP-UHFFFAOYSA-N ChemAxon polar_surface_area 46.17 ChemAxon refractivity 40.48 ChemAxon polarizability 13.8 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 10369 Specdb::MsIr 10370 Specdb::MsIr 10371 Specdb::CMs 34098 Specdb::CMs 157489 Specdb::CMs 159504 Specdb::NmrOneD 65512 Specdb::NmrOneD 65513 Specdb::NmrOneD 65514 Specdb::NmrOneD 65515 Specdb::NmrOneD 65516 Specdb::NmrOneD 65517 Specdb::NmrOneD 65518 Specdb::NmrOneD 65519 Specdb::NmrOneD 65520 Specdb::NmrOneD 65521 Specdb::NmrOneD 65522 Specdb::NmrOneD 65523 Specdb::NmrOneD 65524 Specdb::NmrOneD 65525 Specdb::NmrOneD 65526 Specdb::NmrOneD 65527 Specdb::NmrOneD 65528 Specdb::NmrOneD 65529 Specdb::NmrOneD 65530 Specdb::NmrOneD 65531 Specdb::NmrOneD 76892 Specdb::NmrOneD 76893 Specdb::NmrOneD 76894 Specdb::NmrOneD 76895 Specdb::NmrOneD 76896 Specdb::MsMs 74172 Specdb::MsMs 74173 Specdb::MsMs 74174 Specdb::MsMs 133482 Specdb::MsMs 133483 Specdb::MsMs 133484 Specdb::MsMs 437957 Specdb::MsMs 437958 Specdb::MsMs 437959 Specdb::MsMs 437960 Specdb::MsMs 437961 Specdb::MsMs 445094 Specdb::MsMs 445095 Specdb::MsMs 445096 Specdb::MsMs 445097 Specdb::MsMs 445098 Specdb::MsMs 446360 Specdb::MsMs 446361 Specdb::MsMs 446362 Specdb::MsMs 446363 Specdb::MsMs 446364 Specdb::MsMs 2229368 Specdb::MsMs 2231681 Specdb::MsMs 2232524 Specdb::MsMs 2234089