About 1,3-benzodioxole;1-benzofuran;4H-1,4-benzothiazin-3-one;1-benzothiophene;4H-1,4-benzoxazin-3-one;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;1,3-dihydroindol-2-one;3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;2,3-dihydroisoindol-1-one;2,4-dihydro-1H-isoquinolin-3-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;1,2-dihydroquinoline;3,4-dihydro-1H-quinolin-2-one;ethane;1H-indole;quinoline;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;bis(1,2,3,4-tetrahydroquinoline)
1,3-benzodioxole;1-benzofuran;4H-1,4-benzothiazin-3-one;1-benzothiophene;4H-1,4-benzoxazin-3-one;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;1,3-dihydroindol-2-one;3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;2,3-dihydroisoindol-1-one;2,4-dihydro-1H-isoquinolin-3-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;1,2-dihydroquinoline;3,4-dihydro-1H-quinolin-2-one;ethane;1H-indole;quinoline;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;bis(1,2,3,4-tetrahydroquinoline) (PubChem CID 163936209) has the molecular formula C305H428N18O20S4
and a molecular weight of 4795.15 g/mol. Its IUPAC name is 1,3-benzodioxole;1-benzofuran;4H-1,4-benzothiazin-3-one;1-benzothiophene;4H-1,4-benzoxazin-3-one;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;1,3-dihydroindol-2-one;3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;2,3-dihydroisoindol-1-one;2,4-dihydro-1H-isoquinolin-3-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;1,2-dihydroquinoline;3,4-dihydro-1H-quinolin-2-one;ethane;1H-indole;quinoline;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;bis(1,2,3,4-tetrahydroquinoline).
Frequently Asked Questions
What is the IUPAC name of 1,3-benzodioxole;1-benzofuran;4H-1,4-benzothiazin-3-one;1-benzothiophene;4H-1,4-benzoxazin-3-one;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;1,3-dihydroindol-2-one;3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;2,3-dihydroisoindol-1-one;2,4-dihydro-1H-isoquinolin-3-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;1,2-dihydroquinoline;3,4-dihydro-1H-quinolin-2-one;ethane;1H-indole;quinoline;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;bis(1,2,3,4-tetrahydroquinoline)?
The IUPAC name of 1,3-benzodioxole;1-benzofuran;4H-1,4-benzothiazin-3-one;1-benzothiophene;4H-1,4-benzoxazin-3-one;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;1,3-dihydroindol-2-one;3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;2,3-dihydroisoindol-1-one;2,4-dihydro-1H-isoquinolin-3-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;1,2-dihydroquinoline;3,4-dihydro-1H-quinolin-2-one;ethane;1H-indole;quinoline;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;bis(1,2,3,4-tetrahydroquinoline) (CID 163936209) is 1,3-benzodioxole;1-benzofuran;4H-1,4-benzothiazin-3-one;1-benzothiophene;4H-1,4-benzoxazin-3-one;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;1,3-dihydroindol-2-one;3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;2,3-dihydroisoindol-1-one;2,4-dihydro-1H-isoquinolin-3-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;1,2-dihydroquinoline;3,4-dihydro-1H-quinolin-2-one;ethane;1H-indole;quinoline;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;bis(1,2,3,4-tetrahydroquinoline).
What is the SMILES notation for 1,3-benzodioxole;1-benzofuran;4H-1,4-benzothiazin-3-one;1-benzothiophene;4H-1,4-benzoxazin-3-one;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;1,3-dihydroindol-2-one;3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;2,3-dihydroisoindol-1-one;2,4-dihydro-1H-isoquinolin-3-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;1,2-dihydroquinoline;3,4-dihydro-1H-quinolin-2-one;ethane;1H-indole;quinoline;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;bis(1,2,3,4-tetrahydroquinoline)?
The canonical SMILES for 1,3-benzodioxole;1-benzofuran;4H-1,4-benzothiazin-3-one;1-benzothiophene;4H-1,4-benzoxazin-3-one;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;1,3-dihydroindol-2-one;3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;2,3-dihydroisoindol-1-one;2,4-dihydro-1H-isoquinolin-3-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;1,2-dihydroquinoline;3,4-dihydro-1H-quinolin-2-one;ethane;1H-indole;quinoline;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;bis(1,2,3,4-tetrahydroquinoline) is C1=Cc2ccccc2NC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C1CCc2ccccc2N1.O=C1COc2ccccc2N1.O=C1CSc2ccccc2N1.O=C1Cc2ccccc2CN1.O=C1Cc2ccccc2N1.O=C1NCCc2ccccc21.O=C1NCc2ccccc21.O=S1(=O)CCNc2ccccc21.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCCC2.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCNC2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CNC2.c1ccc2c(c1)COC2.c1ccc2c(c1)NCCO2.c1ccc2c(c1)NCCS2.c1ccc2c(c1)OCCO2.c1ccc2c(c1)OCO2.c1ccc2ncccc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.
What is the InChIKey of 1,3-benzodioxole;1-benzofuran;4H-1,4-benzothiazin-3-one;1-benzothiophene;4H-1,4-benzoxazin-3-one;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;1,3-dihydroindol-2-one;3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;2,3-dihydroisoindol-1-one;2,4-dihydro-1H-isoquinolin-3-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;1,2-dihydroquinoline;3,4-dihydro-1H-quinolin-2-one;ethane;1H-indole;quinoline;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;bis(1,2,3,4-tetrahydroquinoline)?
The InChIKey is RNAISYDHCQVRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14.C10H12.3C9H9NO.2C9H11N.C9H9N.C9H7N.C9H11N.2C9H10O.C9H10.C8H9NO2S.C8H7NO2.C8H7NOS.C8H9NO.2C8H7NO.C8H9NS.2C8H9N.C8H7N.C8H8O2.2C8H8O.C8H6O.C8H6S.C7H6O2.29C2H6/c1-2-6-10-8-4-5-9-11(10)7-3-1;1-2-6-10-8-4-3-7-9(10)5-1;11-9-5-7-3-1-2-4-8(7)6-10-9;11-9-8-4-2-1-3-7(8)5-6-10-9;11-9-6-5-7-3-1-2-4-8(7)10-9;4*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1;10-12(11)6-5-9-7-3-1-2-4-8(7)12;2*10-8-5-11-7-4-2-1-3-6(7)9-8;1-2-4-8-7(3-1)9-5-6-10-8;10-8-7-4-2-1-3-6(7)5-9-8;10-8-5-6-3-1-2-4-7(6)9-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-6-9-5-7(8)3-1;3*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;29*1-2/h4-5,8-9H,1-3,6-7H2;1-2,5-6H,3-4,7-8H2;3*1-4H,5-6H2,(H,10,11);2*1-2,4,6,10H,3,5,7H2;1-6,10H,7H2;1-7H;1-4,10H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4-5H,3,6-7H2;1-4,9H,5-6H2;2*1-4H,5H2,(H,9,10);1-4,9H,5-6H2;2*1-4H,5H2,(H,9,10);1-4,9H,5-6H2;2*1-4,9H,5-6H2;1-6,9H;1-4H,5-6H2;2*1-4H,5-6H2;2*1-6H;1-4H,5H2;29*1-2H3.
What are the key properties of 1,3-benzodioxole;1-benzofuran;4H-1,4-benzothiazin-3-one;1-benzothiophene;4H-1,4-benzoxazin-3-one;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;1,3-dihydroindol-2-one;3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;2,3-dihydroisoindol-1-one;2,4-dihydro-1H-isoquinolin-3-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;1,2-dihydroquinoline;3,4-dihydro-1H-quinolin-2-one;ethane;1H-indole;quinoline;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;bis(1,2,3,4-tetrahydroquinoline)?
1,3-benzodioxole;1-benzofuran;4H-1,4-benzothiazin-3-one;1-benzothiophene;4H-1,4-benzoxazin-3-one;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;1,3-dihydroindol-2-one;3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;2,3-dihydroisoindol-1-one;2,4-dihydro-1H-isoquinolin-3-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;1,2-dihydroquinoline;3,4-dihydro-1H-quinolin-2-one;ethane;1H-indole;quinoline;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;bis(1,2,3,4-tetrahydroquinoline) has a molecular weight of 4795.15 g/mol, XLogP of 80.51, 0 rotatable bonds, 17 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxole;1-benzofuran;4H-1,4-benzothiazin-3-one;1-benzothiophene;4H-1,4-benzoxazin-3-one;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;1,3-dihydroindol-2-one;3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;2,3-dihydroisoindol-1-one;2,4-dihydro-1H-isoquinolin-3-one;3,4-dihydro-2H-isoquinolin-1-one;3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide;1,2-dihydroquinoline;3,4-dihydro-1H-quinolin-2-one;ethane;1H-indole;quinoline;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;bis(1,2,3,4-tetrahydroquinoline) is sourced from PubChem (CID 163936209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).