7-azabicyclo[4.1.0]heptane;3-azabicyclo[3.1.0]hexane;bis(bicyclo[4.1.0]heptane);bicyclo[3.1.0]hexane;4H-chromene;3,7-diazabicyclo[4.1.0]heptane;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene 2-oxide;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;bis(1,3-dihydroindol-2-one);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;3λ6-thia-7-azabicyclo[4.1.0]heptane 3,3-dioxide;3λ4-thia-7-azabicyclo[4.1.0]heptane 3-oxide;3λ6-thia-6-azabicyclo[3.1.0]hexane 3,3-dioxide;2λ6-thiabicyclo[4.1.0]heptane 2,2-dioxide;2λ4-thiabicyclo[4.1.0]heptane 2-oxide;3-oxa-7-azabicyclo[4.1.0]heptane;9-oxa-3-azabicyclo[3.3.1]nonane;2-oxabicyclo[4.1.0]heptane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;3-thia-7-azabicyclo[4.1.0]heptane;2-thiabicyclo[4.1.0]heptane

C238H318N16O24S14 — CID 158735737

IUPAC7-azabicyclo[4.1.0]heptane;3-azabicyclo[3.1.0]hexane;bis(bicyclo[4.1.0]heptane);bicyclo[3.1.0]hexane;4H-chromene;3,7-diazabicyclo[4.1.0]heptane;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene 2-oxide;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;bis(1,3-dihydroindol-2-one);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;3λ6-thia-7-azabicyclo[4.1.0]heptane 3,3-dioxide;3λ4-thia-7-azabicyclo[4.1.0]heptane 3-oxide;3λ6-thia-6-azabicyclo[3.1.0]hexane 3,3-dioxide;2λ6-thiabicyclo[4.1.0]heptane 2,2-dioxide;2λ4-thiabicyclo[4.1.0]heptane 2-oxide;3-oxa-7-azabicyclo[4.1.0]heptane;9-oxa-3-azabicyclo[3.3.1]nonane;2-oxabicyclo[4.1.0]heptane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;3-thia-7-azabicyclo[4.1.0]heptane;2-thiabicyclo[4.1.0]heptane
SMILESC1=COc2ccccc2C1.C1CC2CC2C1.C1CC2CNCC(C1)O2.C1CC2NC2CN1.C1CC2NC2CO1.C1CC2NC2CS1.C1CCC2CC2C1.C1CCC2CC2C1.C1CCC2NC2C1.C1COC2CC2C1.C1CSC2CC2C1.C1NCC2CC12.O=C1Cc2ccccc2N1.O=C1Cc2ccccc2N1.O=S1(=O)CC2NC2C1.O=S1(=O)CCC2NC2C1.O=S1(=O)CCCC2CC21.O=S1(=O)CCCc2ccccc21.O=S1(=O)CCc2ccccc2C1.O=S1CCC2NC2C1.O=S1CCCC2CC21.O=S1CCCc2ccccc21.O=S1CCc2ccccc2C1.O=S1Cc2ccccc2C1.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCNC2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CCSC2.c1ccc2c(c1)CNC2
InChIInChI=1S/2C9H11N.2C9H10O2S.2C9H10OS.C9H10O.C9H8O.C9H10O.2C9H10S.2C8H7NO.2C8H9N.C8H8OS.C8H8O.C7H13NO.2C7H12.C6H11N.C6H10O2S.C6H10OS.C6H10O.C6H10S.C6H10.C5H10N2.C5H9NO2S.C5H9NOS.C5H9NO.C5H9NS.C5H9N.C4H7NO2S/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;2*10-8-5-6-3-1-2-4-7(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;9-10-5-7-3-1-2-4-8(7)6-10;1-2-4-8-7(3-1)5-6-9-8;1-2-6-4-8-5-7(3-1)9-6;2*1-2-4-7-5-6(7)3-1;1-2-4-6-5(3-1)7-6;7-9(8)3-1-2-5-4-6(5)9;7-8-3-1-2-5-4-6(5)8;2*1-2-5-4-6(5)7-3-1;1-2-5-4-6(5)3-1;1-2-6-3-5-4(1)7-5;7-9(8)2-1-4-5(3-9)6-4;7-8-2-1-4-5(3-8)6-4;2*1-2-7-3-5-4(1)6-5;1-4-2-6-3-5(1)4;6-8(7)1-3-4(2-8)5-3/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;2*1-4H,5H2,(H,9,10);2*1-4,9H,5-6H2;1-4H,5-6H2;1-4H,5-6H2;6-8H,1-5H2;2*6-7H,1-5H2;5-7H,1-4H2;5-6H,1-4H2;5-6H,1-4H2;2*5-6H,1-4H2;5-6H,1-4H2;4-7H,1-3H2;4-6H,1-3H2;4-6H,1-3H2;2*4-6H,1-3H2;4-6H,1-3H2;3-5H,1-2H2
InChIKeyILQRPDRMOGLHDK-UHFFFAOYSA-N
MW4236.19 g/mol
LogP38.01
Rot. Bonds

About 7-azabicyclo[4.1.0]heptane;3-azabicyclo[3.1.0]hexane;bis(bicyclo[4.1.0]heptane);bicyclo[3.1.0]hexane;4H-chromene;3,7-diazabicyclo[4.1.0]heptane;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene 2-oxide;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;bis(1,3-dihydroindol-2-one);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;3λ6-thia-7-azabicyclo[4.1.0]heptane 3,3-dioxide;3λ4-thia-7-azabicyclo[4.1.0]heptane 3-oxide;3λ6-thia-6-azabicyclo[3.1.0]hexane 3,3-dioxide;2λ6-thiabicyclo[4.1.0]heptane 2,2-dioxide;2λ4-thiabicyclo[4.1.0]heptane 2-oxide;3-oxa-7-azabicyclo[4.1.0]heptane;9-oxa-3-azabicyclo[3.3.1]nonane;2-oxabicyclo[4.1.0]heptane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;3-thia-7-azabicyclo[4.1.0]heptane;2-thiabicyclo[4.1.0]heptane

7-azabicyclo[4.1.0]heptane;3-azabicyclo[3.1.0]hexane;bis(bicyclo[4.1.0]heptane);bicyclo[3.1.0]hexane;4H-chromene;3,7-diazabicyclo[4.1.0]heptane;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene 2-oxide;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;bis(1,3-dihydroindol-2-one);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;3λ6-thia-7-azabicyclo[4.1.0]heptane 3,3-dioxide;3λ4-thia-7-azabicyclo[4.1.0]heptane 3-oxide;3λ6-thia-6-azabicyclo[3.1.0]hexane 3,3-dioxide;2λ6-thiabicyclo[4.1.0]heptane 2,2-dioxide;2λ4-thiabicyclo[4.1.0]heptane 2-oxide;3-oxa-7-azabicyclo[4.1.0]heptane;9-oxa-3-azabicyclo[3.3.1]nonane;2-oxabicyclo[4.1.0]heptane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;3-thia-7-azabicyclo[4.1.0]heptane;2-thiabicyclo[4.1.0]heptane (PubChem CID 158735737) has the molecular formula C238H318N16O24S14 and a molecular weight of 4236.19 g/mol. Its IUPAC name is 7-azabicyclo[4.1.0]heptane;3-azabicyclo[3.1.0]hexane;bis(bicyclo[4.1.0]heptane);bicyclo[3.1.0]hexane;4H-chromene;3,7-diazabicyclo[4.1.0]heptane;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene 2-oxide;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;bis(1,3-dihydroindol-2-one);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;3λ6-thia-7-azabicyclo[4.1.0]heptane 3,3-dioxide;3λ4-thia-7-azabicyclo[4.1.0]heptane 3-oxide;3λ6-thia-6-azabicyclo[3.1.0]hexane 3,3-dioxide;2λ6-thiabicyclo[4.1.0]heptane 2,2-dioxide;2λ4-thiabicyclo[4.1.0]heptane 2-oxide;3-oxa-7-azabicyclo[4.1.0]heptane;9-oxa-3-azabicyclo[3.3.1]nonane;2-oxabicyclo[4.1.0]heptane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;3-thia-7-azabicyclo[4.1.0]heptane;2-thiabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name7-azabicyclo[4.1.0]heptane;3-azabicyclo[3.1.0]hexane;bis(bicyclo[4.1.0]heptane);bicyclo[3.1.0]hexane;4H-chromene;3,7-diazabicyclo[4.1.0]heptane;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene 2-oxide;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;bis(1,3-dihydroindol-2-one);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;3λ6-thia-7-azabicyclo[4.1.0]heptane 3,3-dioxide;3λ4-thia-7-azabicyclo[4.1.0]heptane 3-oxide;3λ6-thia-6-azabicyclo[3.1.0]hexane 3,3-dioxide;2λ6-thiabicyclo[4.1.0]heptane 2,2-dioxide;2λ4-thiabicyclo[4.1.0]heptane 2-oxide;3-oxa-7-azabicyclo[4.1.0]heptane;9-oxa-3-azabicyclo[3.3.1]nonane;2-oxabicyclo[4.1.0]heptane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;3-thia-7-azabicyclo[4.1.0]heptane;2-thiabicyclo[4.1.0]heptane
PubChem CID158735737
Molecular FormulaC238H318N16O24S14
Molecular Weight4236.19 g/mol
Exact Mass4232.02
IUPAC Name7-azabicyclo[4.1.0]heptane;3-azabicyclo[3.1.0]hexane;bis(bicyclo[4.1.0]heptane);bicyclo[3.1.0]hexane;4H-chromene;3,7-diazabicyclo[4.1.0]heptane;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene 2-oxide;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;bis(1,3-dihydroindol-2-one);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;3λ6-thia-7-azabicyclo[4.1.0]heptane 3,3-dioxide;3λ4-thia-7-azabicyclo[4.1.0]heptane 3-oxide;3λ6-thia-6-azabicyclo[3.1.0]hexane 3,3-dioxide;2λ6-thiabicyclo[4.1.0]heptane 2,2-dioxide;2λ4-thiabicyclo[4.1.0]heptane 2-oxide;3-oxa-7-azabicyclo[4.1.0]heptane;9-oxa-3-azabicyclo[3.3.1]nonane;2-oxabicyclo[4.1.0]heptane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;3-thia-7-azabicyclo[4.1.0]heptane;2-thiabicyclo[4.1.0]heptane
SMILESC1=COc2ccccc2C1.C1CC2CC2C1.C1CC2CNCC(C1)O2.C1CC2NC2CN1.C1CC2NC2CO1.C1CC2NC2CS1.C1CCC2CC2C1.C1CCC2CC2C1.C1CCC2NC2C1.C1COC2CC2C1.C1CSC2CC2C1.C1NCC2CC12.O=C1Cc2ccccc2N1.O=C1Cc2ccccc2N1.O=S1(=O)CC2NC2C1.O=S1(=O)CCC2NC2C1.O=S1(=O)CCCC2CC21.O=S1(=O)CCCc2ccccc21.O=S1(=O)CCc2ccccc2C1.O=S1CCC2NC2C1.O=S1CCCC2CC21.O=S1CCCc2ccccc21.O=S1CCc2ccccc2C1.O=S1Cc2ccccc2C1.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCNC2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CCSC2.c1ccc2c(c1)CNC2
InChIInChI=1S/2C9H11N.2C9H10O2S.2C9H10OS.C9H10O.C9H8O.C9H10O.2C9H10S.2C8H7NO.2C8H9N.C8H8OS.C8H8O.C7H13NO.2C7H12.C6H11N.C6H10O2S.C6H10OS.C6H10O.C6H10S.C6H10.C5H10N2.C5H9NO2S.C5H9NOS.C5H9NO.C5H9NS.C5H9N.C4H7NO2S/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;2*10-8-5-6-3-1-2-4-7(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;9-10-5-7-3-1-2-4-8(7)6-10;1-2-4-8-7(3-1)5-6-9-8;1-2-6-4-8-5-7(3-1)9-6;2*1-2-4-7-5-6(7)3-1;1-2-4-6-5(3-1)7-6;7-9(8)3-1-2-5-4-6(5)9;7-8-3-1-2-5-4-6(5)8;2*1-2-5-4-6(5)7-3-1;1-2-5-4-6(5)3-1;1-2-6-3-5-4(1)7-5;7-9(8)2-1-4-5(3-9)6-4;7-8-2-1-4-5(3-8)6-4;2*1-2-7-3-5-4(1)6-5;1-4-2-6-3-5(1)4;6-8(7)1-3-4(2-8)5-3/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;2*1-4H,5H2,(H,9,10);2*1-4,9H,5-6H2;1-4H,5-6H2;1-4H,5-6H2;6-8H,1-5H2;2*6-7H,1-5H2;5-7H,1-4H2;5-6H,1-4H2;5-6H,1-4H2;2*5-6H,1-4H2;5-6H,1-4H2;4-7H,1-3H2;4-6H,1-3H2;4-6H,1-3H2;2*4-6H,1-3H2;4-6H,1-3H2;3-5H,1-2H2
InChIKeyILQRPDRMOGLHDK-UHFFFAOYSA-N
XLogP38.01
TPSA616.65 Ų
H-Bond Donors16
H-Bond Acceptors42
Rotatable Bonds
Heavy Atoms292
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004236.19
LogP ≤ 538.01
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1042

Analyze 7-azabicyclo[4.1.0]heptane;3-azabicyclo[3.1.0]hexane;bis(bicyclo[4.1.0]heptane);bicyclo[3.1.0]hexane;4H-chromene;3,7-diazabicyclo[4.1.0]heptane;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene 2-oxide;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;bis(1,3-dihydroindol-2-one);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;3λ6-thia-7-azabicyclo[4.1.0]heptane 3,3-dioxide;3λ4-thia-7-azabicyclo[4.1.0]heptane 3-oxide;3λ6-thia-6-azabicyclo[3.1.0]hexane 3,3-dioxide;2λ6-thiabicyclo[4.1.0]heptane 2,2-dioxide;2λ4-thiabicyclo[4.1.0]heptane 2-oxide;3-oxa-7-azabicyclo[4.1.0]heptane;9-oxa-3-azabicyclo[3.3.1]nonane;2-oxabicyclo[4.1.0]heptane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;3-thia-7-azabicyclo[4.1.0]heptane;2-thiabicyclo[4.1.0]heptane with MolForge

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What is the IUPAC name of 7-azabicyclo[4.1.0]heptane;3-azabicyclo[3.1.0]hexane;bis(bicyclo[4.1.0]heptane);bicyclo[3.1.0]hexane;4H-chromene;3,7-diazabicyclo[4.1.0]heptane;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene 2-oxide;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;bis(1,3-dihydroindol-2-one);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;3λ6-thia-7-azabicyclo[4.1.0]heptane 3,3-dioxide;3λ4-thia-7-azabicyclo[4.1.0]heptane 3-oxide;3λ6-thia-6-azabicyclo[3.1.0]hexane 3,3-dioxide;2λ6-thiabicyclo[4.1.0]heptane 2,2-dioxide;2λ4-thiabicyclo[4.1.0]heptane 2-oxide;3-oxa-7-azabicyclo[4.1.0]heptane;9-oxa-3-azabicyclo[3.3.1]nonane;2-oxabicyclo[4.1.0]heptane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;3-thia-7-azabicyclo[4.1.0]heptane;2-thiabicyclo[4.1.0]heptane?
The IUPAC name of 7-azabicyclo[4.1.0]heptane;3-azabicyclo[3.1.0]hexane;bis(bicyclo[4.1.0]heptane);bicyclo[3.1.0]hexane;4H-chromene;3,7-diazabicyclo[4.1.0]heptane;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene 2-oxide;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;bis(1,3-dihydroindol-2-one);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;3λ6-thia-7-azabicyclo[4.1.0]heptane 3,3-dioxide;3λ4-thia-7-azabicyclo[4.1.0]heptane 3-oxide;3λ6-thia-6-azabicyclo[3.1.0]hexane 3,3-dioxide;2λ6-thiabicyclo[4.1.0]heptane 2,2-dioxide;2λ4-thiabicyclo[4.1.0]heptane 2-oxide;3-oxa-7-azabicyclo[4.1.0]heptane;9-oxa-3-azabicyclo[3.3.1]nonane;2-oxabicyclo[4.1.0]heptane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;3-thia-7-azabicyclo[4.1.0]heptane;2-thiabicyclo[4.1.0]heptane (CID 158735737) is 7-azabicyclo[4.1.0]heptane;3-azabicyclo[3.1.0]hexane;bis(bicyclo[4.1.0]heptane);bicyclo[3.1.0]hexane;4H-chromene;3,7-diazabicyclo[4.1.0]heptane;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene 2-oxide;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;bis(1,3-dihydroindol-2-one);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;3λ6-thia-7-azabicyclo[4.1.0]heptane 3,3-dioxide;3λ4-thia-7-azabicyclo[4.1.0]heptane 3-oxide;3λ6-thia-6-azabicyclo[3.1.0]hexane 3,3-dioxide;2λ6-thiabicyclo[4.1.0]heptane 2,2-dioxide;2λ4-thiabicyclo[4.1.0]heptane 2-oxide;3-oxa-7-azabicyclo[4.1.0]heptane;9-oxa-3-azabicyclo[3.3.1]nonane;2-oxabicyclo[4.1.0]heptane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;3-thia-7-azabicyclo[4.1.0]heptane;2-thiabicyclo[4.1.0]heptane.
What is the SMILES notation for 7-azabicyclo[4.1.0]heptane;3-azabicyclo[3.1.0]hexane;bis(bicyclo[4.1.0]heptane);bicyclo[3.1.0]hexane;4H-chromene;3,7-diazabicyclo[4.1.0]heptane;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene 2-oxide;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;bis(1,3-dihydroindol-2-one);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;3λ6-thia-7-azabicyclo[4.1.0]heptane 3,3-dioxide;3λ4-thia-7-azabicyclo[4.1.0]heptane 3-oxide;3λ6-thia-6-azabicyclo[3.1.0]hexane 3,3-dioxide;2λ6-thiabicyclo[4.1.0]heptane 2,2-dioxide;2λ4-thiabicyclo[4.1.0]heptane 2-oxide;3-oxa-7-azabicyclo[4.1.0]heptane;9-oxa-3-azabicyclo[3.3.1]nonane;2-oxabicyclo[4.1.0]heptane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;3-thia-7-azabicyclo[4.1.0]heptane;2-thiabicyclo[4.1.0]heptane?
The canonical SMILES for 7-azabicyclo[4.1.0]heptane;3-azabicyclo[3.1.0]hexane;bis(bicyclo[4.1.0]heptane);bicyclo[3.1.0]hexane;4H-chromene;3,7-diazabicyclo[4.1.0]heptane;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene 2-oxide;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;bis(1,3-dihydroindol-2-one);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;3λ6-thia-7-azabicyclo[4.1.0]heptane 3,3-dioxide;3λ4-thia-7-azabicyclo[4.1.0]heptane 3-oxide;3λ6-thia-6-azabicyclo[3.1.0]hexane 3,3-dioxide;2λ6-thiabicyclo[4.1.0]heptane 2,2-dioxide;2λ4-thiabicyclo[4.1.0]heptane 2-oxide;3-oxa-7-azabicyclo[4.1.0]heptane;9-oxa-3-azabicyclo[3.3.1]nonane;2-oxabicyclo[4.1.0]heptane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;3-thia-7-azabicyclo[4.1.0]heptane;2-thiabicyclo[4.1.0]heptane is C1=COc2ccccc2C1.C1CC2CC2C1.C1CC2CNCC(C1)O2.C1CC2NC2CN1.C1CC2NC2CO1.C1CC2NC2CS1.C1CCC2CC2C1.C1CCC2CC2C1.C1CCC2NC2C1.C1COC2CC2C1.C1CSC2CC2C1.C1NCC2CC12.O=C1Cc2ccccc2N1.O=C1Cc2ccccc2N1.O=S1(=O)CC2NC2C1.O=S1(=O)CCC2NC2C1.O=S1(=O)CCCC2CC21.O=S1(=O)CCCc2ccccc21.O=S1(=O)CCc2ccccc2C1.O=S1CCC2NC2C1.O=S1CCCC2CC21.O=S1CCCc2ccccc21.O=S1CCc2ccccc2C1.O=S1Cc2ccccc2C1.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCNC2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CCSC2.c1ccc2c(c1)CNC2.
What is the InChIKey of 7-azabicyclo[4.1.0]heptane;3-azabicyclo[3.1.0]hexane;bis(bicyclo[4.1.0]heptane);bicyclo[3.1.0]hexane;4H-chromene;3,7-diazabicyclo[4.1.0]heptane;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene 2-oxide;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;bis(1,3-dihydroindol-2-one);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;3λ6-thia-7-azabicyclo[4.1.0]heptane 3,3-dioxide;3λ4-thia-7-azabicyclo[4.1.0]heptane 3-oxide;3λ6-thia-6-azabicyclo[3.1.0]hexane 3,3-dioxide;2λ6-thiabicyclo[4.1.0]heptane 2,2-dioxide;2λ4-thiabicyclo[4.1.0]heptane 2-oxide;3-oxa-7-azabicyclo[4.1.0]heptane;9-oxa-3-azabicyclo[3.3.1]nonane;2-oxabicyclo[4.1.0]heptane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;3-thia-7-azabicyclo[4.1.0]heptane;2-thiabicyclo[4.1.0]heptane?
The InChIKey is ILQRPDRMOGLHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11N.2C9H10O2S.2C9H10OS.C9H10O.C9H8O.C9H10O.2C9H10S.2C8H7NO.2C8H9N.C8H8OS.C8H8O.C7H13NO.2C7H12.C6H11N.C6H10O2S.C6H10OS.C6H10O.C6H10S.C6H10.C5H10N2.C5H9NO2S.C5H9NOS.C5H9NO.C5H9NS.C5H9N.C4H7NO2S/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;2*10-8-5-6-3-1-2-4-7(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;9-10-5-7-3-1-2-4-8(7)6-10;1-2-4-8-7(3-1)5-6-9-8;1-2-6-4-8-5-7(3-1)9-6;2*1-2-4-7-5-6(7)3-1;1-2-4-6-5(3-1)7-6;7-9(8)3-1-2-5-4-6(5)9;7-8-3-1-2-5-4-6(5)8;2*1-2-5-4-6(5)7-3-1;1-2-5-4-6(5)3-1;1-2-6-3-5-4(1)7-5;7-9(8)2-1-4-5(3-9)6-4;7-8-2-1-4-5(3-8)6-4;2*1-2-7-3-5-4(1)6-5;1-4-2-6-3-5(1)4;6-8(7)1-3-4(2-8)5-3/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;2*1-4H,5H2,(H,9,10);2*1-4,9H,5-6H2;1-4H,5-6H2;1-4H,5-6H2;6-8H,1-5H2;2*6-7H,1-5H2;5-7H,1-4H2;5-6H,1-4H2;5-6H,1-4H2;2*5-6H,1-4H2;5-6H,1-4H2;4-7H,1-3H2;4-6H,1-3H2;4-6H,1-3H2;2*4-6H,1-3H2;4-6H,1-3H2;3-5H,1-2H2.
What are the key properties of 7-azabicyclo[4.1.0]heptane;3-azabicyclo[3.1.0]hexane;bis(bicyclo[4.1.0]heptane);bicyclo[3.1.0]hexane;4H-chromene;3,7-diazabicyclo[4.1.0]heptane;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene 2-oxide;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;bis(1,3-dihydroindol-2-one);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;3λ6-thia-7-azabicyclo[4.1.0]heptane 3,3-dioxide;3λ4-thia-7-azabicyclo[4.1.0]heptane 3-oxide;3λ6-thia-6-azabicyclo[3.1.0]hexane 3,3-dioxide;2λ6-thiabicyclo[4.1.0]heptane 2,2-dioxide;2λ4-thiabicyclo[4.1.0]heptane 2-oxide;3-oxa-7-azabicyclo[4.1.0]heptane;9-oxa-3-azabicyclo[3.3.1]nonane;2-oxabicyclo[4.1.0]heptane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;3-thia-7-azabicyclo[4.1.0]heptane;2-thiabicyclo[4.1.0]heptane?
7-azabicyclo[4.1.0]heptane;3-azabicyclo[3.1.0]hexane;bis(bicyclo[4.1.0]heptane);bicyclo[3.1.0]hexane;4H-chromene;3,7-diazabicyclo[4.1.0]heptane;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene 2-oxide;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;bis(1,3-dihydroindol-2-one);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;3λ6-thia-7-azabicyclo[4.1.0]heptane 3,3-dioxide;3λ4-thia-7-azabicyclo[4.1.0]heptane 3-oxide;3λ6-thia-6-azabicyclo[3.1.0]hexane 3,3-dioxide;2λ6-thiabicyclo[4.1.0]heptane 2,2-dioxide;2λ4-thiabicyclo[4.1.0]heptane 2-oxide;3-oxa-7-azabicyclo[4.1.0]heptane;9-oxa-3-azabicyclo[3.3.1]nonane;2-oxabicyclo[4.1.0]heptane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;3-thia-7-azabicyclo[4.1.0]heptane;2-thiabicyclo[4.1.0]heptane has a molecular weight of 4236.19 g/mol, XLogP of 38.01, 0 rotatable bonds, 16 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azabicyclo[4.1.0]heptane;3-azabicyclo[3.1.0]hexane;bis(bicyclo[4.1.0]heptane);bicyclo[3.1.0]hexane;4H-chromene;3,7-diazabicyclo[4.1.0]heptane;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene 2-oxide;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;bis(1,3-dihydroindol-2-one);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;3λ6-thia-7-azabicyclo[4.1.0]heptane 3,3-dioxide;3λ4-thia-7-azabicyclo[4.1.0]heptane 3-oxide;3λ6-thia-6-azabicyclo[3.1.0]hexane 3,3-dioxide;2λ6-thiabicyclo[4.1.0]heptane 2,2-dioxide;2λ4-thiabicyclo[4.1.0]heptane 2-oxide;3-oxa-7-azabicyclo[4.1.0]heptane;9-oxa-3-azabicyclo[3.3.1]nonane;2-oxabicyclo[4.1.0]heptane;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;3-thia-7-azabicyclo[4.1.0]heptane;2-thiabicyclo[4.1.0]heptane is sourced from PubChem (CID 158735737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).