1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;bicyclo[2.2.1]heptane;bicyclo[2.2.2]octane;4H-chromene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;1,3-dihydro-2-benzothiophene 2,2-dioxide;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;bis(2,3-dihydro-1H-indole);3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline

C252H320N14O19S12 — CID 157129555

IUPAC1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;bicyclo[2.2.1]heptane;bicyclo[2.2.2]octane;4H-chromene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;1,3-dihydro-2-benzothiophene 2,2-dioxide;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;bis(2,3-dihydro-1H-indole);3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline
SMILESC1=COc2ccccc2C1.C1CC2CC1CN2.C1CC2CCC(C1)N2.C1CC2CCC1C2.C1CC2CCC1CC2.C1CC2CCC1CN2.C1CC2COCC1N2.C1CN2CCC1C2.C1CN2CCC1CC2.C1CN2CCN1CC2.C1OC2CNC1C2.O=S1(=O)CCCc2ccccc21.O=S1(=O)CCc2ccccc21.O=S1(=O)CCc2ccccc2C1.O=S1(=O)Cc2ccccc2C1.O=S1CCCc2ccccc21.O=S1CCc2ccccc21.O=S1CCc2ccccc2C1.O=S1Cc2ccccc2C1.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCNC2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CCS2.c1ccc2c(c1)CCSC2.c1ccc2c(c1)CNC2.c1ccc2c(c1)COC2.c1ccc2c(c1)CSC2
InChIInChI=1S/2C9H11N.2C9H10O2S.2C9H10OS.C9H10O.C9H8O.C9H10O.2C9H10S.3C8H9N.2C8H8O2S.2C8H8OS.2C8H8O.2C8H8S.C8H14.3C7H13N.C7H12.C6H12N2.C6H11NO.2C6H11N.C5H9NO/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;10-12(11)7-3-5-8-4-1-2-6-9(8)12;10-12(11)6-5-8-3-1-2-4-9(8)7-12;10-11-7-3-5-8-4-1-2-6-9(8)11;10-11-6-5-8-3-1-2-4-9(8)7-11;2*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;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;9-11(10)5-7-3-1-2-4-8(7)6-11;9-11(10)6-5-7-3-1-2-4-8(7)11;9-10-5-7-3-1-2-4-8(7)6-10;9-10-6-5-7-3-1-2-4-8(7)10;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-8-5-3-7(1)4-6-8;1-4-8-5-2-7(1)3-6-8;1-3-7-4-2-6(1)5-8-7;1-2-6-4-5-7(3-1)8-6;1-2-7-4-3-6(1)5-7;1-2-8-5-3-7(1)4-6-8;1-2-6-4-8-3-5(1)7-6;1-3-7-4-2-6(1)5-7;1-2-6-3-5(1)4-7-6;1-4-3-7-5(1)2-6-4/h1-2,4,6,10H,3,5,7H2;1-4,10H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4,6-7H,5H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;3*1-4,9H,5-6H2;2*1-4H,5-6H2;2*1-4H,5-6H2;4*1-4H,5-6H2;7-8H,1-6H2;7H,1-6H2;2*6-8H,1-5H2;6-7H,1-5H2;1-6H2;5-7H,1-4H2;6H,1-5H2;5-7H,1-4H2;4-6H,1-3H2
InChIKeyAIXBRWAMDHUOHM-UHFFFAOYSA-N
MW4234.21 g/mol
LogP47.21
Rot. Bonds

About 1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;bicyclo[2.2.1]heptane;bicyclo[2.2.2]octane;4H-chromene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;1,3-dihydro-2-benzothiophene 2,2-dioxide;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;bis(2,3-dihydro-1H-indole);3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline

1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;bicyclo[2.2.1]heptane;bicyclo[2.2.2]octane;4H-chromene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;1,3-dihydro-2-benzothiophene 2,2-dioxide;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;bis(2,3-dihydro-1H-indole);3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline (PubChem CID 157129555) has the molecular formula C252H320N14O19S12 and a molecular weight of 4234.21 g/mol. Its IUPAC name is 1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;bicyclo[2.2.1]heptane;bicyclo[2.2.2]octane;4H-chromene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;1,3-dihydro-2-benzothiophene 2,2-dioxide;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;bis(2,3-dihydro-1H-indole);3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;bicyclo[2.2.1]heptane;bicyclo[2.2.2]octane;4H-chromene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;1,3-dihydro-2-benzothiophene 2,2-dioxide;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;bis(2,3-dihydro-1H-indole);3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline
PubChem CID157129555
Molecular FormulaC252H320N14O19S12
Molecular Weight4234.21 g/mol
Exact Mass4230.12
IUPAC Name1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;bicyclo[2.2.1]heptane;bicyclo[2.2.2]octane;4H-chromene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;1,3-dihydro-2-benzothiophene 2,2-dioxide;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;bis(2,3-dihydro-1H-indole);3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline
SMILESC1=COc2ccccc2C1.C1CC2CC1CN2.C1CC2CCC(C1)N2.C1CC2CCC1C2.C1CC2CCC1CC2.C1CC2CCC1CN2.C1CC2COCC1N2.C1CN2CCC1C2.C1CN2CCC1CC2.C1CN2CCN1CC2.C1OC2CNC1C2.O=S1(=O)CCCc2ccccc21.O=S1(=O)CCc2ccccc21.O=S1(=O)CCc2ccccc2C1.O=S1(=O)Cc2ccccc2C1.O=S1CCCc2ccccc21.O=S1CCc2ccccc21.O=S1CCc2ccccc2C1.O=S1Cc2ccccc2C1.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCNC2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CCS2.c1ccc2c(c1)CCSC2.c1ccc2c(c1)CNC2.c1ccc2c(c1)COC2.c1ccc2c(c1)CSC2
InChIInChI=1S/2C9H11N.2C9H10O2S.2C9H10OS.C9H10O.C9H8O.C9H10O.2C9H10S.3C8H9N.2C8H8O2S.2C8H8OS.2C8H8O.2C8H8S.C8H14.3C7H13N.C7H12.C6H12N2.C6H11NO.2C6H11N.C5H9NO/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;10-12(11)7-3-5-8-4-1-2-6-9(8)12;10-12(11)6-5-8-3-1-2-4-9(8)7-12;10-11-7-3-5-8-4-1-2-6-9(8)11;10-11-6-5-8-3-1-2-4-9(8)7-11;2*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;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;9-11(10)5-7-3-1-2-4-8(7)6-11;9-11(10)6-5-7-3-1-2-4-8(7)11;9-10-5-7-3-1-2-4-8(7)6-10;9-10-6-5-7-3-1-2-4-8(7)10;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-8-5-3-7(1)4-6-8;1-4-8-5-2-7(1)3-6-8;1-3-7-4-2-6(1)5-8-7;1-2-6-4-5-7(3-1)8-6;1-2-7-4-3-6(1)5-7;1-2-8-5-3-7(1)4-6-8;1-2-6-4-8-3-5(1)7-6;1-3-7-4-2-6(1)5-7;1-2-6-3-5(1)4-7-6;1-4-3-7-5(1)2-6-4/h1-2,4,6,10H,3,5,7H2;1-4,10H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4,6-7H,5H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;3*1-4,9H,5-6H2;2*1-4H,5-6H2;2*1-4H,5-6H2;4*1-4H,5-6H2;7-8H,1-6H2;7H,1-6H2;2*6-8H,1-5H2;6-7H,1-5H2;1-6H2;5-7H,1-4H2;6H,1-5H2;5-7H,1-4H2;4-6H,1-3H2
InChIKeyAIXBRWAMDHUOHM-UHFFFAOYSA-N
XLogP47.21
TPSA402.71 Ų
H-Bond Donors10
H-Bond Acceptors37
Rotatable Bonds
Heavy Atoms297
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004234.21
LogP ≤ 547.21
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1037

Analyze 1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;bicyclo[2.2.1]heptane;bicyclo[2.2.2]octane;4H-chromene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;1,3-dihydro-2-benzothiophene 2,2-dioxide;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;bis(2,3-dihydro-1H-indole);3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;bicyclo[2.2.1]heptane;bicyclo[2.2.2]octane;4H-chromene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;1,3-dihydro-2-benzothiophene 2,2-dioxide;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;bis(2,3-dihydro-1H-indole);3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline?
The IUPAC name of 1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;bicyclo[2.2.1]heptane;bicyclo[2.2.2]octane;4H-chromene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;1,3-dihydro-2-benzothiophene 2,2-dioxide;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;bis(2,3-dihydro-1H-indole);3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline (CID 157129555) is 1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;bicyclo[2.2.1]heptane;bicyclo[2.2.2]octane;4H-chromene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;1,3-dihydro-2-benzothiophene 2,2-dioxide;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;bis(2,3-dihydro-1H-indole);3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;bicyclo[2.2.1]heptane;bicyclo[2.2.2]octane;4H-chromene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;1,3-dihydro-2-benzothiophene 2,2-dioxide;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;bis(2,3-dihydro-1H-indole);3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;bicyclo[2.2.1]heptane;bicyclo[2.2.2]octane;4H-chromene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;1,3-dihydro-2-benzothiophene 2,2-dioxide;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;bis(2,3-dihydro-1H-indole);3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline is C1=COc2ccccc2C1.C1CC2CC1CN2.C1CC2CCC(C1)N2.C1CC2CCC1C2.C1CC2CCC1CC2.C1CC2CCC1CN2.C1CC2COCC1N2.C1CN2CCC1C2.C1CN2CCC1CC2.C1CN2CCN1CC2.C1OC2CNC1C2.O=S1(=O)CCCc2ccccc21.O=S1(=O)CCc2ccccc21.O=S1(=O)CCc2ccccc2C1.O=S1(=O)Cc2ccccc2C1.O=S1CCCc2ccccc21.O=S1CCc2ccccc21.O=S1CCc2ccccc2C1.O=S1Cc2ccccc2C1.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCNC2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CCS2.c1ccc2c(c1)CCSC2.c1ccc2c(c1)CNC2.c1ccc2c(c1)COC2.c1ccc2c(c1)CSC2.
What is the InChIKey of 1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;bicyclo[2.2.1]heptane;bicyclo[2.2.2]octane;4H-chromene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;1,3-dihydro-2-benzothiophene 2,2-dioxide;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;bis(2,3-dihydro-1H-indole);3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline?
The InChIKey is AIXBRWAMDHUOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11N.2C9H10O2S.2C9H10OS.C9H10O.C9H8O.C9H10O.2C9H10S.3C8H9N.2C8H8O2S.2C8H8OS.2C8H8O.2C8H8S.C8H14.3C7H13N.C7H12.C6H12N2.C6H11NO.2C6H11N.C5H9NO/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;10-12(11)7-3-5-8-4-1-2-6-9(8)12;10-12(11)6-5-8-3-1-2-4-9(8)7-12;10-11-7-3-5-8-4-1-2-6-9(8)11;10-11-6-5-8-3-1-2-4-9(8)7-11;2*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;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;9-11(10)5-7-3-1-2-4-8(7)6-11;9-11(10)6-5-7-3-1-2-4-8(7)11;9-10-5-7-3-1-2-4-8(7)6-10;9-10-6-5-7-3-1-2-4-8(7)10;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-8-5-3-7(1)4-6-8;1-4-8-5-2-7(1)3-6-8;1-3-7-4-2-6(1)5-8-7;1-2-6-4-5-7(3-1)8-6;1-2-7-4-3-6(1)5-7;1-2-8-5-3-7(1)4-6-8;1-2-6-4-8-3-5(1)7-6;1-3-7-4-2-6(1)5-7;1-2-6-3-5(1)4-7-6;1-4-3-7-5(1)2-6-4/h1-2,4,6,10H,3,5,7H2;1-4,10H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4,6-7H,5H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;3*1-4,9H,5-6H2;2*1-4H,5-6H2;2*1-4H,5-6H2;4*1-4H,5-6H2;7-8H,1-6H2;7H,1-6H2;2*6-8H,1-5H2;6-7H,1-5H2;1-6H2;5-7H,1-4H2;6H,1-5H2;5-7H,1-4H2;4-6H,1-3H2.
What are the key properties of 1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;bicyclo[2.2.1]heptane;bicyclo[2.2.2]octane;4H-chromene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;1,3-dihydro-2-benzothiophene 2,2-dioxide;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;bis(2,3-dihydro-1H-indole);3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline?
1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;bicyclo[2.2.1]heptane;bicyclo[2.2.2]octane;4H-chromene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;1,3-dihydro-2-benzothiophene 2,2-dioxide;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;bis(2,3-dihydro-1H-indole);3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline has a molecular weight of 4234.21 g/mol, XLogP of 47.21, 0 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;1-azabicyclo[2.2.2]octane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;bicyclo[2.2.1]heptane;bicyclo[2.2.2]octane;4H-chromene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;1,3-dihydro-2-benzothiophene 2,2-dioxide;2,3-dihydro-1-benzothiophene 1,1-dioxide;1,3-dihydro-2-benzothiophene 2-oxide;2,3-dihydro-1-benzothiophene 1-oxide;3,4-dihydro-2H-chromene;bis(2,3-dihydro-1H-indole);3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;3,4-dihydro-1H-isothiochromene;3,4-dihydro-1H-isothiochromene 2,2-dioxide;3,4-dihydro-1H-isothiochromene 2-oxide;3,4-dihydro-2H-thiochromene;3,4-dihydro-2H-thiochromene 1,1-dioxide;3,4-dihydro-2H-thiochromene 1-oxide;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 157129555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).