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;cyclobutane;cycloheptane;cyclohexane;cyclopentane;1,4-diazabicyclo[2.2.2]octane;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;1,4-dioxane;1,3-dioxolane;1,4-dithiane;1,4-dithiane 1,1,4,4-tetraoxide;1,3-dithiolane;1,3-dithiolane 1,1,3,3-tetraoxide;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;oxane;1,4-oxathiane;1,4-oxathiane 4,4-dioxide;1,4-oxathiane 4-oxide;1,3-oxathiolane;1,3-oxathiolane 3,3-dioxide;1,3-oxathiolane 3-oxide;1,3-oxazolidine;oxetane;oxolane;piperidine;bis(pyrrolidine);1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;thiane;bis(thiane 1,1-dioxide);bis(thiane 1-oxide);thietane;thietane 1,1-dioxide;thietane 1-oxide;thiolane;bis(thiolane 1,1-dioxide);bis(thiolane 1-oxide)

C288H524N16O49S29 — CID 159352755

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;cyclobutane;cycloheptane;cyclohexane;cyclopentane;1,4-diazabicyclo[2.2.2]octane;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;1,4-dioxane;1,3-dioxolane;1,4-dithiane;1,4-dithiane 1,1,4,4-tetraoxide;1,3-dithiolane;1,3-dithiolane 1,1,3,3-tetraoxide;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;oxane;1,4-oxathiane;1,4-oxathiane 4,4-dioxide;1,4-oxathiane 4-oxide;1,3-oxathiolane;1,3-oxathiolane 3,3-dioxide;1,3-oxathiolane 3-oxide;1,3-oxazolidine;oxetane;oxolane;piperidine;bis(pyrrolidine);1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;thiane;bis(thiane 1,1-dioxide);bis(thiane 1-oxide);thietane;thietane 1,1-dioxide;thietane 1-oxide;thiolane;bis(thiolane 1,1-dioxide);bis(thiolane 1-oxide)
SMILESC1=COc2ccccc2C1.C1CC2CC1C2.C1CC2CC1C2.C1CC2CC1CN2.C1CC2CCC(C1)N2.C1CC2CCC1C2.C1CC2CCC1CC2.C1CC2CCC1CN2.C1CC2CCC1N2.C1CC2COCC1N2.C1CCC1.C1CCCC1.C1CCCCC1.C1CCCCCC1.C1CCNC1.C1CCNC1.C1CCNCC1.C1CCOC1.C1CCOCC1.C1CCOCC1.C1CCSC1.C1CCSC1.C1CCSCC1.C1CCSCC1.C1CN2CCC1C2.C1CN2CCC1CC2.C1CN2CCN1CC2.C1COC1.C1COCCO1.C1COCN1.C1COCO1.C1CSC1.C1CSCCO1.C1CSCCS1.C1CSCO1.C1CSCS1.C1OC2CNC1C2.O=S1(=O)CCC1.O=S1(=O)CCCC1.O=S1(=O)CCCC1.O=S1(=O)CCCCC1.O=S1(=O)CCCCC1.O=S1(=O)CCOC1.O=S1(=O)CCOCC1.O=S1(=O)CCS(=O)(=O)C1.O=S1(=O)CCS(=O)(=O)CC1.O=S1CCC1.O=S1CCCC1.O=S1CCCC1.O=S1CCCCC1.O=S1CCCCC1.O=S1CCOC1.O=S1CCOCC1.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCNC2.c1ccc2c(c1)CCOC2
InChIInChI=1S/2C9H11N.C9H10O.C9H8O.C9H10O.C8H14.3C7H13N.C7H12.C7H14.C6H12N2.C6H11NO.3C6H11N.2C6H10.C6H12.C5H9NO.C5H11N.2C5H10O2S.2C5H10OS.2C5H10O.2C5H10S.C5H10.2C4H9N.C4H8O4S2.C4H8O3S.3C4H8O2S.C4H8O2.3C4H8OS.C4H8O.C4H8S2.2C4H8S.C4H8.C3H7NO.C3H6O4S2.C3H6O3S.2C3H6O2S.C3H6O2.2C3H6OS.C3H6O.C3H6S2.C3H6S/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;1-2-8-5-3-7(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;1-2-4-6-7-5-3-1;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;1-2-4-6-5-3-1;1-4-3-7-5(1)2-6-4;1-2-4-6-5-3-1;2*6-8(7)4-2-1-3-5-8;2*6-7-4-2-1-3-5-7;4*1-2-4-6-5-3-1;3*1-2-4-5-3-1;5-9(6)1-2-10(7,8)4-3-9;5-8(6)3-1-7-2-4-8;5-7-3-1-6-2-4-7;2*5-7(6)3-1-2-4-7;1-2-6-4-3-5-1;1-3-6-4-2-5-1;2*5-6-3-1-2-4-6;1-2-4-5-3-1;1-2-6-4-3-5-1;2*1-2-4-5-3-1;1-2-4-3-1;1-2-5-3-4-1;4-8(5)1-2-9(6,7)3-8;4-7(5)2-1-6-3-7;4-6-2-1-5-3-6;4-6(5)2-1-3-6;2*1-2-5-3-4-1;4-5-2-1-3-5;1-2-4-3-1;1-2-5-3-4-1;1-2-4-3-1/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;7-8H,1-6H2;7H,1-6H2;2*6-8H,1-5H2;6-7H,1-5H2;1-7H2;1-6H2;5-7H,1-4H2;6H,1-5H2;2*5-7H,1-4H2;2*5-6H,1-4H2;1-6H2;4-6H,1-3H2;6H,1-5H2;2*1-5H2;2*1-5H2;4*1-5H2;1-5H2;2*5H,1-4H2;1-4H2;1-4H2;3*1-4H2;4*1-4H2;1-4H2;1-4H2;2*1-4H2;1-4H2;4H,1-3H2;1-3H2;1-3H2;2*1-3H2;3*1-3H2;1-3H2;1-3H2;1-3H2
InChIKeyLHNPDJRMCFRFJO-UHFFFAOYSA-N
MW5925.37 g/mol
LogP48.97
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;cyclobutane;cycloheptane;cyclohexane;cyclopentane;1,4-diazabicyclo[2.2.2]octane;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;1,4-dioxane;1,3-dioxolane;1,4-dithiane;1,4-dithiane 1,1,4,4-tetraoxide;1,3-dithiolane;1,3-dithiolane 1,1,3,3-tetraoxide;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;oxane;1,4-oxathiane;1,4-oxathiane 4,4-dioxide;1,4-oxathiane 4-oxide;1,3-oxathiolane;1,3-oxathiolane 3,3-dioxide;1,3-oxathiolane 3-oxide;1,3-oxazolidine;oxetane;oxolane;piperidine;bis(pyrrolidine);1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;thiane;bis(thiane 1,1-dioxide);bis(thiane 1-oxide);thietane;thietane 1,1-dioxide;thietane 1-oxide;thiolane;bis(thiolane 1,1-dioxide);bis(thiolane 1-oxide)

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;cyclobutane;cycloheptane;cyclohexane;cyclopentane;1,4-diazabicyclo[2.2.2]octane;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;1,4-dioxane;1,3-dioxolane;1,4-dithiane;1,4-dithiane 1,1,4,4-tetraoxide;1,3-dithiolane;1,3-dithiolane 1,1,3,3-tetraoxide;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;oxane;1,4-oxathiane;1,4-oxathiane 4,4-dioxide;1,4-oxathiane 4-oxide;1,3-oxathiolane;1,3-oxathiolane 3,3-dioxide;1,3-oxathiolane 3-oxide;1,3-oxazolidine;oxetane;oxolane;piperidine;bis(pyrrolidine);1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;thiane;bis(thiane 1,1-dioxide);bis(thiane 1-oxide);thietane;thietane 1,1-dioxide;thietane 1-oxide;thiolane;bis(thiolane 1,1-dioxide);bis(thiolane 1-oxide) (PubChem CID 159352755) has the molecular formula C288H524N16O49S29 and a molecular weight of 5925.37 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;cyclobutane;cycloheptane;cyclohexane;cyclopentane;1,4-diazabicyclo[2.2.2]octane;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;1,4-dioxane;1,3-dioxolane;1,4-dithiane;1,4-dithiane 1,1,4,4-tetraoxide;1,3-dithiolane;1,3-dithiolane 1,1,3,3-tetraoxide;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;oxane;1,4-oxathiane;1,4-oxathiane 4,4-dioxide;1,4-oxathiane 4-oxide;1,3-oxathiolane;1,3-oxathiolane 3,3-dioxide;1,3-oxathiolane 3-oxide;1,3-oxazolidine;oxetane;oxolane;piperidine;bis(pyrrolidine);1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;thiane;bis(thiane 1,1-dioxide);bis(thiane 1-oxide);thietane;thietane 1,1-dioxide;thietane 1-oxide;thiolane;bis(thiolane 1,1-dioxide);bis(thiolane 1-oxide).

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;cyclobutane;cycloheptane;cyclohexane;cyclopentane;1,4-diazabicyclo[2.2.2]octane;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;1,4-dioxane;1,3-dioxolane;1,4-dithiane;1,4-dithiane 1,1,4,4-tetraoxide;1,3-dithiolane;1,3-dithiolane 1,1,3,3-tetraoxide;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;oxane;1,4-oxathiane;1,4-oxathiane 4,4-dioxide;1,4-oxathiane 4-oxide;1,3-oxathiolane;1,3-oxathiolane 3,3-dioxide;1,3-oxathiolane 3-oxide;1,3-oxazolidine;oxetane;oxolane;piperidine;bis(pyrrolidine);1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;thiane;bis(thiane 1,1-dioxide);bis(thiane 1-oxide);thietane;thietane 1,1-dioxide;thietane 1-oxide;thiolane;bis(thiolane 1,1-dioxide);bis(thiolane 1-oxide)
PubChem CID159352755
Molecular FormulaC288H524N16O49S29
Molecular Weight5925.37 g/mol
Exact Mass5919.09
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;cyclobutane;cycloheptane;cyclohexane;cyclopentane;1,4-diazabicyclo[2.2.2]octane;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;1,4-dioxane;1,3-dioxolane;1,4-dithiane;1,4-dithiane 1,1,4,4-tetraoxide;1,3-dithiolane;1,3-dithiolane 1,1,3,3-tetraoxide;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;oxane;1,4-oxathiane;1,4-oxathiane 4,4-dioxide;1,4-oxathiane 4-oxide;1,3-oxathiolane;1,3-oxathiolane 3,3-dioxide;1,3-oxathiolane 3-oxide;1,3-oxazolidine;oxetane;oxolane;piperidine;bis(pyrrolidine);1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;thiane;bis(thiane 1,1-dioxide);bis(thiane 1-oxide);thietane;thietane 1,1-dioxide;thietane 1-oxide;thiolane;bis(thiolane 1,1-dioxide);bis(thiolane 1-oxide)
SMILESC1=COc2ccccc2C1.C1CC2CC1C2.C1CC2CC1C2.C1CC2CC1CN2.C1CC2CCC(C1)N2.C1CC2CCC1C2.C1CC2CCC1CC2.C1CC2CCC1CN2.C1CC2CCC1N2.C1CC2COCC1N2.C1CCC1.C1CCCC1.C1CCCCC1.C1CCCCCC1.C1CCNC1.C1CCNC1.C1CCNCC1.C1CCOC1.C1CCOCC1.C1CCOCC1.C1CCSC1.C1CCSC1.C1CCSCC1.C1CCSCC1.C1CN2CCC1C2.C1CN2CCC1CC2.C1CN2CCN1CC2.C1COC1.C1COCCO1.C1COCN1.C1COCO1.C1CSC1.C1CSCCO1.C1CSCCS1.C1CSCO1.C1CSCS1.C1OC2CNC1C2.O=S1(=O)CCC1.O=S1(=O)CCCC1.O=S1(=O)CCCC1.O=S1(=O)CCCCC1.O=S1(=O)CCCCC1.O=S1(=O)CCOC1.O=S1(=O)CCOCC1.O=S1(=O)CCS(=O)(=O)C1.O=S1(=O)CCS(=O)(=O)CC1.O=S1CCC1.O=S1CCCC1.O=S1CCCC1.O=S1CCCCC1.O=S1CCCCC1.O=S1CCOC1.O=S1CCOCC1.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCNC2.c1ccc2c(c1)CCOC2
InChIInChI=1S/2C9H11N.C9H10O.C9H8O.C9H10O.C8H14.3C7H13N.C7H12.C7H14.C6H12N2.C6H11NO.3C6H11N.2C6H10.C6H12.C5H9NO.C5H11N.2C5H10O2S.2C5H10OS.2C5H10O.2C5H10S.C5H10.2C4H9N.C4H8O4S2.C4H8O3S.3C4H8O2S.C4H8O2.3C4H8OS.C4H8O.C4H8S2.2C4H8S.C4H8.C3H7NO.C3H6O4S2.C3H6O3S.2C3H6O2S.C3H6O2.2C3H6OS.C3H6O.C3H6S2.C3H6S/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;1-2-8-5-3-7(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;1-2-4-6-7-5-3-1;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;1-2-4-6-5-3-1;1-4-3-7-5(1)2-6-4;1-2-4-6-5-3-1;2*6-8(7)4-2-1-3-5-8;2*6-7-4-2-1-3-5-7;4*1-2-4-6-5-3-1;3*1-2-4-5-3-1;5-9(6)1-2-10(7,8)4-3-9;5-8(6)3-1-7-2-4-8;5-7-3-1-6-2-4-7;2*5-7(6)3-1-2-4-7;1-2-6-4-3-5-1;1-3-6-4-2-5-1;2*5-6-3-1-2-4-6;1-2-4-5-3-1;1-2-6-4-3-5-1;2*1-2-4-5-3-1;1-2-4-3-1;1-2-5-3-4-1;4-8(5)1-2-9(6,7)3-8;4-7(5)2-1-6-3-7;4-6-2-1-5-3-6;4-6(5)2-1-3-6;2*1-2-5-3-4-1;4-5-2-1-3-5;1-2-4-3-1;1-2-5-3-4-1;1-2-4-3-1/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;7-8H,1-6H2;7H,1-6H2;2*6-8H,1-5H2;6-7H,1-5H2;1-7H2;1-6H2;5-7H,1-4H2;6H,1-5H2;2*5-7H,1-4H2;2*5-6H,1-4H2;1-6H2;4-6H,1-3H2;6H,1-5H2;2*1-5H2;2*1-5H2;4*1-5H2;1-5H2;2*5H,1-4H2;1-4H2;1-4H2;3*1-4H2;4*1-4H2;1-4H2;1-4H2;2*1-4H2;1-4H2;4H,1-3H2;1-3H2;1-3H2;2*1-3H2;3*1-3H2;1-3H2;1-3H2;1-3H2
InChIKeyLHNPDJRMCFRFJO-UHFFFAOYSA-N
XLogP48.97
TPSA836.95 Ų
H-Bond Donors12
H-Bond Acceptors76
Rotatable Bonds
Heavy Atoms382
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005925.37
LogP ≤ 548.97
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1076

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;cyclobutane;cycloheptane;cyclohexane;cyclopentane;1,4-diazabicyclo[2.2.2]octane;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;1,4-dioxane;1,3-dioxolane;1,4-dithiane;1,4-dithiane 1,1,4,4-tetraoxide;1,3-dithiolane;1,3-dithiolane 1,1,3,3-tetraoxide;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;oxane;1,4-oxathiane;1,4-oxathiane 4,4-dioxide;1,4-oxathiane 4-oxide;1,3-oxathiolane;1,3-oxathiolane 3,3-dioxide;1,3-oxathiolane 3-oxide;1,3-oxazolidine;oxetane;oxolane;piperidine;bis(pyrrolidine);1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;thiane;bis(thiane 1,1-dioxide);bis(thiane 1-oxide);thietane;thietane 1,1-dioxide;thietane 1-oxide;thiolane;bis(thiolane 1,1-dioxide);bis(thiolane 1-oxide) 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;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;cyclobutane;cycloheptane;cyclohexane;cyclopentane;1,4-diazabicyclo[2.2.2]octane;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;1,4-dioxane;1,3-dioxolane;1,4-dithiane;1,4-dithiane 1,1,4,4-tetraoxide;1,3-dithiolane;1,3-dithiolane 1,1,3,3-tetraoxide;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;oxane;1,4-oxathiane;1,4-oxathiane 4,4-dioxide;1,4-oxathiane 4-oxide;1,3-oxathiolane;1,3-oxathiolane 3,3-dioxide;1,3-oxathiolane 3-oxide;1,3-oxazolidine;oxetane;oxolane;piperidine;bis(pyrrolidine);1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;thiane;bis(thiane 1,1-dioxide);bis(thiane 1-oxide);thietane;thietane 1,1-dioxide;thietane 1-oxide;thiolane;bis(thiolane 1,1-dioxide);bis(thiolane 1-oxide)?
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;cyclobutane;cycloheptane;cyclohexane;cyclopentane;1,4-diazabicyclo[2.2.2]octane;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;1,4-dioxane;1,3-dioxolane;1,4-dithiane;1,4-dithiane 1,1,4,4-tetraoxide;1,3-dithiolane;1,3-dithiolane 1,1,3,3-tetraoxide;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;oxane;1,4-oxathiane;1,4-oxathiane 4,4-dioxide;1,4-oxathiane 4-oxide;1,3-oxathiolane;1,3-oxathiolane 3,3-dioxide;1,3-oxathiolane 3-oxide;1,3-oxazolidine;oxetane;oxolane;piperidine;bis(pyrrolidine);1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;thiane;bis(thiane 1,1-dioxide);bis(thiane 1-oxide);thietane;thietane 1,1-dioxide;thietane 1-oxide;thiolane;bis(thiolane 1,1-dioxide);bis(thiolane 1-oxide) (CID 159352755) 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;cyclobutane;cycloheptane;cyclohexane;cyclopentane;1,4-diazabicyclo[2.2.2]octane;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;1,4-dioxane;1,3-dioxolane;1,4-dithiane;1,4-dithiane 1,1,4,4-tetraoxide;1,3-dithiolane;1,3-dithiolane 1,1,3,3-tetraoxide;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;oxane;1,4-oxathiane;1,4-oxathiane 4,4-dioxide;1,4-oxathiane 4-oxide;1,3-oxathiolane;1,3-oxathiolane 3,3-dioxide;1,3-oxathiolane 3-oxide;1,3-oxazolidine;oxetane;oxolane;piperidine;bis(pyrrolidine);1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;thiane;bis(thiane 1,1-dioxide);bis(thiane 1-oxide);thietane;thietane 1,1-dioxide;thietane 1-oxide;thiolane;bis(thiolane 1,1-dioxide);bis(thiolane 1-oxide).
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;cyclobutane;cycloheptane;cyclohexane;cyclopentane;1,4-diazabicyclo[2.2.2]octane;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;1,4-dioxane;1,3-dioxolane;1,4-dithiane;1,4-dithiane 1,1,4,4-tetraoxide;1,3-dithiolane;1,3-dithiolane 1,1,3,3-tetraoxide;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;oxane;1,4-oxathiane;1,4-oxathiane 4,4-dioxide;1,4-oxathiane 4-oxide;1,3-oxathiolane;1,3-oxathiolane 3,3-dioxide;1,3-oxathiolane 3-oxide;1,3-oxazolidine;oxetane;oxolane;piperidine;bis(pyrrolidine);1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;thiane;bis(thiane 1,1-dioxide);bis(thiane 1-oxide);thietane;thietane 1,1-dioxide;thietane 1-oxide;thiolane;bis(thiolane 1,1-dioxide);bis(thiolane 1-oxide)?
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;cyclobutane;cycloheptane;cyclohexane;cyclopentane;1,4-diazabicyclo[2.2.2]octane;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;1,4-dioxane;1,3-dioxolane;1,4-dithiane;1,4-dithiane 1,1,4,4-tetraoxide;1,3-dithiolane;1,3-dithiolane 1,1,3,3-tetraoxide;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;oxane;1,4-oxathiane;1,4-oxathiane 4,4-dioxide;1,4-oxathiane 4-oxide;1,3-oxathiolane;1,3-oxathiolane 3,3-dioxide;1,3-oxathiolane 3-oxide;1,3-oxazolidine;oxetane;oxolane;piperidine;bis(pyrrolidine);1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;thiane;bis(thiane 1,1-dioxide);bis(thiane 1-oxide);thietane;thietane 1,1-dioxide;thietane 1-oxide;thiolane;bis(thiolane 1,1-dioxide);bis(thiolane 1-oxide) is C1=COc2ccccc2C1.C1CC2CC1C2.C1CC2CC1C2.C1CC2CC1CN2.C1CC2CCC(C1)N2.C1CC2CCC1C2.C1CC2CCC1CC2.C1CC2CCC1CN2.C1CC2CCC1N2.C1CC2COCC1N2.C1CCC1.C1CCCC1.C1CCCCC1.C1CCCCCC1.C1CCNC1.C1CCNC1.C1CCNCC1.C1CCOC1.C1CCOCC1.C1CCOCC1.C1CCSC1.C1CCSC1.C1CCSCC1.C1CCSCC1.C1CN2CCC1C2.C1CN2CCC1CC2.C1CN2CCN1CC2.C1COC1.C1COCCO1.C1COCN1.C1COCO1.C1CSC1.C1CSCCO1.C1CSCCS1.C1CSCO1.C1CSCS1.C1OC2CNC1C2.O=S1(=O)CCC1.O=S1(=O)CCCC1.O=S1(=O)CCCC1.O=S1(=O)CCCCC1.O=S1(=O)CCCCC1.O=S1(=O)CCOC1.O=S1(=O)CCOCC1.O=S1(=O)CCS(=O)(=O)C1.O=S1(=O)CCS(=O)(=O)CC1.O=S1CCC1.O=S1CCCC1.O=S1CCCC1.O=S1CCCCC1.O=S1CCCCC1.O=S1CCOC1.O=S1CCOCC1.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCNC2.c1ccc2c(c1)CCOC2.
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;cyclobutane;cycloheptane;cyclohexane;cyclopentane;1,4-diazabicyclo[2.2.2]octane;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;1,4-dioxane;1,3-dioxolane;1,4-dithiane;1,4-dithiane 1,1,4,4-tetraoxide;1,3-dithiolane;1,3-dithiolane 1,1,3,3-tetraoxide;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;oxane;1,4-oxathiane;1,4-oxathiane 4,4-dioxide;1,4-oxathiane 4-oxide;1,3-oxathiolane;1,3-oxathiolane 3,3-dioxide;1,3-oxathiolane 3-oxide;1,3-oxazolidine;oxetane;oxolane;piperidine;bis(pyrrolidine);1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;thiane;bis(thiane 1,1-dioxide);bis(thiane 1-oxide);thietane;thietane 1,1-dioxide;thietane 1-oxide;thiolane;bis(thiolane 1,1-dioxide);bis(thiolane 1-oxide)?
The InChIKey is LHNPDJRMCFRFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11N.C9H10O.C9H8O.C9H10O.C8H14.3C7H13N.C7H12.C7H14.C6H12N2.C6H11NO.3C6H11N.2C6H10.C6H12.C5H9NO.C5H11N.2C5H10O2S.2C5H10OS.2C5H10O.2C5H10S.C5H10.2C4H9N.C4H8O4S2.C4H8O3S.3C4H8O2S.C4H8O2.3C4H8OS.C4H8O.C4H8S2.2C4H8S.C4H8.C3H7NO.C3H6O4S2.C3H6O3S.2C3H6O2S.C3H6O2.2C3H6OS.C3H6O.C3H6S2.C3H6S/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;1-2-8-5-3-7(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;1-2-4-6-7-5-3-1;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;1-2-4-6-5-3-1;1-4-3-7-5(1)2-6-4;1-2-4-6-5-3-1;2*6-8(7)4-2-1-3-5-8;2*6-7-4-2-1-3-5-7;4*1-2-4-6-5-3-1;3*1-2-4-5-3-1;5-9(6)1-2-10(7,8)4-3-9;5-8(6)3-1-7-2-4-8;5-7-3-1-6-2-4-7;2*5-7(6)3-1-2-4-7;1-2-6-4-3-5-1;1-3-6-4-2-5-1;2*5-6-3-1-2-4-6;1-2-4-5-3-1;1-2-6-4-3-5-1;2*1-2-4-5-3-1;1-2-4-3-1;1-2-5-3-4-1;4-8(5)1-2-9(6,7)3-8;4-7(5)2-1-6-3-7;4-6-2-1-5-3-6;4-6(5)2-1-3-6;2*1-2-5-3-4-1;4-5-2-1-3-5;1-2-4-3-1;1-2-5-3-4-1;1-2-4-3-1/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;7-8H,1-6H2;7H,1-6H2;2*6-8H,1-5H2;6-7H,1-5H2;1-7H2;1-6H2;5-7H,1-4H2;6H,1-5H2;2*5-7H,1-4H2;2*5-6H,1-4H2;1-6H2;4-6H,1-3H2;6H,1-5H2;2*1-5H2;2*1-5H2;4*1-5H2;1-5H2;2*5H,1-4H2;1-4H2;1-4H2;3*1-4H2;4*1-4H2;1-4H2;1-4H2;2*1-4H2;1-4H2;4H,1-3H2;1-3H2;1-3H2;2*1-3H2;3*1-3H2;1-3H2;1-3H2;1-3H2.
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;cyclobutane;cycloheptane;cyclohexane;cyclopentane;1,4-diazabicyclo[2.2.2]octane;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;1,4-dioxane;1,3-dioxolane;1,4-dithiane;1,4-dithiane 1,1,4,4-tetraoxide;1,3-dithiolane;1,3-dithiolane 1,1,3,3-tetraoxide;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;oxane;1,4-oxathiane;1,4-oxathiane 4,4-dioxide;1,4-oxathiane 4-oxide;1,3-oxathiolane;1,3-oxathiolane 3,3-dioxide;1,3-oxathiolane 3-oxide;1,3-oxazolidine;oxetane;oxolane;piperidine;bis(pyrrolidine);1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;thiane;bis(thiane 1,1-dioxide);bis(thiane 1-oxide);thietane;thietane 1,1-dioxide;thietane 1-oxide;thiolane;bis(thiolane 1,1-dioxide);bis(thiolane 1-oxide)?
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;cyclobutane;cycloheptane;cyclohexane;cyclopentane;1,4-diazabicyclo[2.2.2]octane;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;1,4-dioxane;1,3-dioxolane;1,4-dithiane;1,4-dithiane 1,1,4,4-tetraoxide;1,3-dithiolane;1,3-dithiolane 1,1,3,3-tetraoxide;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;oxane;1,4-oxathiane;1,4-oxathiane 4,4-dioxide;1,4-oxathiane 4-oxide;1,3-oxathiolane;1,3-oxathiolane 3,3-dioxide;1,3-oxathiolane 3-oxide;1,3-oxazolidine;oxetane;oxolane;piperidine;bis(pyrrolidine);1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;thiane;bis(thiane 1,1-dioxide);bis(thiane 1-oxide);thietane;thietane 1,1-dioxide;thietane 1-oxide;thiolane;bis(thiolane 1,1-dioxide);bis(thiolane 1-oxide) has a molecular weight of 5925.37 g/mol, XLogP of 48.97, 0 rotatable bonds, 12 hydrogen bond donors, and 76 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;cyclobutane;cycloheptane;cyclohexane;cyclopentane;1,4-diazabicyclo[2.2.2]octane;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;1,4-dioxane;1,3-dioxolane;1,4-dithiane;1,4-dithiane 1,1,4,4-tetraoxide;1,3-dithiolane;1,3-dithiolane 1,1,3,3-tetraoxide;2-oxa-5-azabicyclo[2.2.1]heptane;3-oxa-8-azabicyclo[3.2.1]octane;oxane;1,4-oxathiane;1,4-oxathiane 4,4-dioxide;1,4-oxathiane 4-oxide;1,3-oxathiolane;1,3-oxathiolane 3,3-dioxide;1,3-oxathiolane 3-oxide;1,3-oxazolidine;oxetane;oxolane;piperidine;bis(pyrrolidine);1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;thiane;bis(thiane 1,1-dioxide);bis(thiane 1-oxide);thietane;thietane 1,1-dioxide;thietane 1-oxide;thiolane;bis(thiolane 1,1-dioxide);bis(thiolane 1-oxide) is sourced from PubChem (CID 159352755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).