1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;7-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;bis(bicyclo[2.1.1]hexane);bicyclo[2.2.2]octane;4H-chromene;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;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-2H-pyran;3,6-dihydro-2H-pyran;2,3-dihydropyridine;3,4-dihydro-2H-thiochromene;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;2H-pyran;4H-pyran;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline

C259H358N16O12S4 — CID 158403410

IUPAC1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;7-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;bis(bicyclo[2.1.1]hexane);bicyclo[2.2.2]octane;4H-chromene;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;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-2H-pyran;3,6-dihydro-2H-pyran;2,3-dihydropyridine;3,4-dihydro-2H-thiochromene;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;2H-pyran;4H-pyran;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline
SMILESC1=CCC=CC1.C1=CCCC=C1.C1=CCCCC1.C1=CCCCC1.C1=CCCN=C1.C1=CCOC=C1.C1=CCOCC1.C1=COC=CC1.C1=COCCC1.C1=COc2ccccc2C1.C1CC2CC1C2.C1CC2CC1C2.C1CC2CC1CN2.C1CC2CCC(C1)N2.C1CC2CCC1C2.C1CC2CCC1CC2.C1CC2CCC1CN2.C1CC2CCC1N2.C1CC2COCC1N2.C1CN2CCC1C2.C1CN2CCC1CC2.C1CN2CCN1CC2.C1OC2CNC1C2.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCNC2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CCS2.c1ccc2c(c1)CCSC2.c1ccc2c(c1)CNC2.c1ccc2c(c1)COC2.c1ccc2c(c1)CSC2
InChIInChI=1S/2C9H11N.C9H10O.C9H8O.C9H10O.2C9H10S.3C8H9N.3C8H8O.2C8H8S.C8H14.3C7H13N.C7H12.C6H12N2.C6H11NO.3C6H11N.4C6H10.2C6H8.C5H9NO.C5H7N.2C5H8O.2C5H6O/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;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;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(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;1-2-6-4-3-5(1)7-6;2*1-2-6-3-5(1)4-6;4*1-2-4-6-5-3-1;1-4-3-7-5(1)2-6-4;5*1-2-4-6-5-3-1/h1-2,4,6,10H,3,5,7H2;1-4,10H,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;5*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;2*5-7H,1-4H2;2*5-6H,1-4H2;2*1-2H,3-6H2;1-2,5-6H,3-4H2;1-4H,5-6H2;4-6H,1-3H2;1-2,4H,3,5H2;2,4H,1,3,5H2;1-2H,3-5H2;2-5H,1H2;1-4H,5H2
InChIKeyGYJNYAVVKKVAPU-UHFFFAOYSA-N
MW4016.08 g/mol
LogP56.45
Rot. Bonds

About 1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;7-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;bis(bicyclo[2.1.1]hexane);bicyclo[2.2.2]octane;4H-chromene;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;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-2H-pyran;3,6-dihydro-2H-pyran;2,3-dihydropyridine;3,4-dihydro-2H-thiochromene;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;2H-pyran;4H-pyran;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline

1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;7-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;bis(bicyclo[2.1.1]hexane);bicyclo[2.2.2]octane;4H-chromene;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;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-2H-pyran;3,6-dihydro-2H-pyran;2,3-dihydropyridine;3,4-dihydro-2H-thiochromene;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;2H-pyran;4H-pyran;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline (PubChem CID 158403410) has the molecular formula C259H358N16O12S4 and a molecular weight of 4016.08 g/mol. Its IUPAC name is 1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;7-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;bis(bicyclo[2.1.1]hexane);bicyclo[2.2.2]octane;4H-chromene;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;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-2H-pyran;3,6-dihydro-2H-pyran;2,3-dihydropyridine;3,4-dihydro-2H-thiochromene;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;2H-pyran;4H-pyran;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;7-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;bis(bicyclo[2.1.1]hexane);bicyclo[2.2.2]octane;4H-chromene;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;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-2H-pyran;3,6-dihydro-2H-pyran;2,3-dihydropyridine;3,4-dihydro-2H-thiochromene;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;2H-pyran;4H-pyran;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline
PubChem CID158403410
Molecular FormulaC259H358N16O12S4
Molecular Weight4016.08 g/mol
Exact Mass4012.68
IUPAC Name1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;7-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;bis(bicyclo[2.1.1]hexane);bicyclo[2.2.2]octane;4H-chromene;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;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-2H-pyran;3,6-dihydro-2H-pyran;2,3-dihydropyridine;3,4-dihydro-2H-thiochromene;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;2H-pyran;4H-pyran;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline
SMILESC1=CCC=CC1.C1=CCCC=C1.C1=CCCCC1.C1=CCCCC1.C1=CCCN=C1.C1=CCOC=C1.C1=CCOCC1.C1=COC=CC1.C1=COCCC1.C1=COc2ccccc2C1.C1CC2CC1C2.C1CC2CC1C2.C1CC2CC1CN2.C1CC2CCC(C1)N2.C1CC2CCC1C2.C1CC2CCC1CC2.C1CC2CCC1CN2.C1CC2CCC1N2.C1CC2COCC1N2.C1CN2CCC1C2.C1CN2CCC1CC2.C1CN2CCN1CC2.C1OC2CNC1C2.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCNC2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CCS2.c1ccc2c(c1)CCSC2.c1ccc2c(c1)CNC2.c1ccc2c(c1)COC2.c1ccc2c(c1)CSC2
InChIInChI=1S/2C9H11N.C9H10O.C9H8O.C9H10O.2C9H10S.3C8H9N.3C8H8O.2C8H8S.C8H14.3C7H13N.C7H12.C6H12N2.C6H11NO.3C6H11N.4C6H10.2C6H8.C5H9NO.C5H7N.2C5H8O.2C5H6O/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;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;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(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;1-2-6-4-3-5(1)7-6;2*1-2-6-3-5(1)4-6;4*1-2-4-6-5-3-1;1-4-3-7-5(1)2-6-4;5*1-2-4-6-5-3-1/h1-2,4,6,10H,3,5,7H2;1-4,10H,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;5*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;2*5-7H,1-4H2;2*5-6H,1-4H2;2*1-2H,3-6H2;1-2,5-6H,3-4H2;1-4H,5-6H2;4-6H,1-3H2;1-2,4H,3,5H2;2,4H,1,3,5H2;1-2H,3-5H2;2-5H,1H2;1-4H,5H2
InChIKeyGYJNYAVVKKVAPU-UHFFFAOYSA-N
XLogP56.45
TPSA268.41 Ų
H-Bond Donors11
H-Bond Acceptors32
Rotatable Bonds
Heavy Atoms291
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004016.08
LogP ≤ 556.45
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1032

Analyze 1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;7-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;bis(bicyclo[2.1.1]hexane);bicyclo[2.2.2]octane;4H-chromene;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;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-2H-pyran;3,6-dihydro-2H-pyran;2,3-dihydropyridine;3,4-dihydro-2H-thiochromene;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;2H-pyran;4H-pyran;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline with MolForge

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Related Compounds

CID 157112261
CID 157112261
CID 157129555
CID 157129555
CID 157153134
CID 157153134
2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;1,3-benzodioxole;1,3-benzoxathiole;4H-chromene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);1,3-dihydro-2-benzothiophene;bis(2,3-dihydro-1-benzothiophene);1,3-dihydro-2-benzothiophene 2,2-dioxide;bis(2,3-dihydro-1-benzothiophene 1,1-dioxide);1,3-dihydro-2-benzothiophene 2-oxide;bis(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 157352239
CID 157428332
CID 157428332
CID 157582353
CID 157582353
CID 157621738
CID 157621738
CID 157680485
CID 157680485
CID 157701914
CID 157701914
CID 157703592
CID 157703592
CID 157757743
CID 157757743
2-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.2]octane;8-azabicyclo[3.2.1]octane;bicyclo[2.2.2]octane;4H-chromene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;bis(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 157788322

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;7-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;bis(bicyclo[2.1.1]hexane);bicyclo[2.2.2]octane;4H-chromene;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;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-2H-pyran;3,6-dihydro-2H-pyran;2,3-dihydropyridine;3,4-dihydro-2H-thiochromene;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;2H-pyran;4H-pyran;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;7-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;bis(bicyclo[2.1.1]hexane);bicyclo[2.2.2]octane;4H-chromene;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;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-2H-pyran;3,6-dihydro-2H-pyran;2,3-dihydropyridine;3,4-dihydro-2H-thiochromene;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;2H-pyran;4H-pyran;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline (CID 158403410) is 1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;7-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;bis(bicyclo[2.1.1]hexane);bicyclo[2.2.2]octane;4H-chromene;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;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-2H-pyran;3,6-dihydro-2H-pyran;2,3-dihydropyridine;3,4-dihydro-2H-thiochromene;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;2H-pyran;4H-pyran;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;7-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;bis(bicyclo[2.1.1]hexane);bicyclo[2.2.2]octane;4H-chromene;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;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-2H-pyran;3,6-dihydro-2H-pyran;2,3-dihydropyridine;3,4-dihydro-2H-thiochromene;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;2H-pyran;4H-pyran;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;7-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;bis(bicyclo[2.1.1]hexane);bicyclo[2.2.2]octane;4H-chromene;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;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-2H-pyran;3,6-dihydro-2H-pyran;2,3-dihydropyridine;3,4-dihydro-2H-thiochromene;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;2H-pyran;4H-pyran;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline is C1=CCC=CC1.C1=CCCC=C1.C1=CCCCC1.C1=CCCCC1.C1=CCCN=C1.C1=CCOC=C1.C1=CCOCC1.C1=COC=CC1.C1=COCCC1.C1=COc2ccccc2C1.C1CC2CC1C2.C1CC2CC1C2.C1CC2CC1CN2.C1CC2CCC(C1)N2.C1CC2CCC1C2.C1CC2CCC1CC2.C1CC2CCC1CN2.C1CC2CCC1N2.C1CC2COCC1N2.C1CN2CCC1C2.C1CN2CCC1CC2.C1CN2CCN1CC2.C1OC2CNC1C2.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCNC2.c1ccc2c(c1)CCO2.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;7-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;bis(bicyclo[2.1.1]hexane);bicyclo[2.2.2]octane;4H-chromene;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;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-2H-pyran;3,6-dihydro-2H-pyran;2,3-dihydropyridine;3,4-dihydro-2H-thiochromene;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;2H-pyran;4H-pyran;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline?
The InChIKey is GYJNYAVVKKVAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11N.C9H10O.C9H8O.C9H10O.2C9H10S.3C8H9N.3C8H8O.2C8H8S.C8H14.3C7H13N.C7H12.C6H12N2.C6H11NO.3C6H11N.4C6H10.2C6H8.C5H9NO.C5H7N.2C5H8O.2C5H6O/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;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;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(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;1-2-6-4-3-5(1)7-6;2*1-2-6-3-5(1)4-6;4*1-2-4-6-5-3-1;1-4-3-7-5(1)2-6-4;5*1-2-4-6-5-3-1/h1-2,4,6,10H,3,5,7H2;1-4,10H,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;5*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;2*5-7H,1-4H2;2*5-6H,1-4H2;2*1-2H,3-6H2;1-2,5-6H,3-4H2;1-4H,5-6H2;4-6H,1-3H2;1-2,4H,3,5H2;2,4H,1,3,5H2;1-2H,3-5H2;2-5H,1H2;1-4H,5H2.
What are the key properties of 1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;7-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;bis(bicyclo[2.1.1]hexane);bicyclo[2.2.2]octane;4H-chromene;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;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-2H-pyran;3,6-dihydro-2H-pyran;2,3-dihydropyridine;3,4-dihydro-2H-thiochromene;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;2H-pyran;4H-pyran;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline?
1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;7-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;bis(bicyclo[2.1.1]hexane);bicyclo[2.2.2]octane;4H-chromene;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;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-2H-pyran;3,6-dihydro-2H-pyran;2,3-dihydropyridine;3,4-dihydro-2H-thiochromene;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;2H-pyran;4H-pyran;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline has a molecular weight of 4016.08 g/mol, XLogP of 56.45, 0 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.1]heptane;2-azabicyclo[2.2.1]heptane;7-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;bis(bicyclo[2.1.1]hexane);bicyclo[2.2.2]octane;4H-chromene;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexene;1,4-diazabicyclo[2.2.2]octane;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;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-2H-pyran;3,6-dihydro-2H-pyran;2,3-dihydropyridine;3,4-dihydro-2H-thiochromene;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;2H-pyran;4H-pyran;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 158403410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).