2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-butyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;5-fluoro-3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-[7-(phenylmethoxymethyl)-2-azabicyclo[2.2.2]oct-5-en-2-yl]ethyl]-1H-indole

C154H183F2N13OS — CID 160748797

IUPAC2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-butyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;5-fluoro-3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-[7-(phenylmethoxymethyl)-2-azabicyclo[2.2.2]oct-5-en-2-yl]ethyl]-1H-indole
SMILESC1=CC2C(COCc3ccccc3)CC1CN2CCc1c[nH]c2ccccc12.C1=CC2C(Cc3ccccc3)CC1CN2CCc1c[nH]c2ccccc12.CCC1CC2C=CC1N(CCc1csc3ccccc13)C2.CCCC1(C)CC2C=CC1N(CCc1c[nH]c3ccccc13)C2.CCCC1CC2C=CC1N(CCc1c[nH]c3ccc(F)cc13)C2.CCCCC1CC2C=CC1N(CCc1c[nH]c3ccccc13)C2.Fc1ccc2[nH]cc(CCN3CC4C=CC3C(Cc3ccccc3)C4)c2c1
InChIInChI=1S/C25H28N2O.C24H25FN2.C24H26N2.2C21H28N2.C20H25FN2.C19H23NS/c1-2-6-19(7-3-1)17-28-18-22-14-20-10-11-25(22)27(16-20)13-12-21-15-26-24-9-5-4-8-23(21)24;25-21-7-8-23-22(14-21)19(15-26-23)10-11-27-16-18-6-9-24(27)20(13-18)12-17-4-2-1-3-5-17;1-2-6-18(7-3-1)14-21-15-19-10-11-24(21)26(17-19)13-12-20-16-25-23-9-5-4-8-22(20)23;1-3-11-21(2)13-16-8-9-20(21)23(15-16)12-10-17-14-22-19-7-5-4-6-18(17)19;1-2-3-6-17-13-16-9-10-21(17)23(15-16)12-11-18-14-22-20-8-5-4-7-19(18)20;1-2-3-15-10-14-4-7-20(15)23(13-14)9-8-16-12-22-19-6-5-17(21)11-18(16)19;1-2-15-11-14-7-8-18(15)20(12-14)10-9-16-13-21-19-6-4-3-5-17(16)19/h1-11,15,20,22,25-26H,12-14,16-18H2;1-9,14-15,18,20,24,26H,10-13,16H2;1-11,16,19,21,24-25H,12-15,17H2;4-9,14,16,20,22H,3,10-13,15H2,1-2H3;4-5,7-10,14,16-17,21-22H,2-3,6,11-13,15H2,1H3;4-7,11-12,14-15,20,22H,2-3,8-10,13H2,1H3;3-8,13-15,18H,2,9-12H2,1H3
InChIKeyRWNQASRFCGERGR-UHFFFAOYSA-N
MW2302.31 g/mol
LogP33.41
Rot. Bonds37

About 2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-butyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;5-fluoro-3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-[7-(phenylmethoxymethyl)-2-azabicyclo[2.2.2]oct-5-en-2-yl]ethyl]-1H-indole

2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-butyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;5-fluoro-3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-[7-(phenylmethoxymethyl)-2-azabicyclo[2.2.2]oct-5-en-2-yl]ethyl]-1H-indole (PubChem CID 160748797) has the molecular formula C154H183F2N13OS and a molecular weight of 2302.31 g/mol. Its IUPAC name is 2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-butyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;5-fluoro-3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-[7-(phenylmethoxymethyl)-2-azabicyclo[2.2.2]oct-5-en-2-yl]ethyl]-1H-indole.

Molecular Properties

Compound Name2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-butyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;5-fluoro-3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-[7-(phenylmethoxymethyl)-2-azabicyclo[2.2.2]oct-5-en-2-yl]ethyl]-1H-indole
PubChem CID160748797
Molecular FormulaC154H183F2N13OS
Molecular Weight2302.31 g/mol
Exact Mass2300.44
IUPAC Name2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-butyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;5-fluoro-3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-[7-(phenylmethoxymethyl)-2-azabicyclo[2.2.2]oct-5-en-2-yl]ethyl]-1H-indole
SMILESC1=CC2C(COCc3ccccc3)CC1CN2CCc1c[nH]c2ccccc12.C1=CC2C(Cc3ccccc3)CC1CN2CCc1c[nH]c2ccccc12.CCC1CC2C=CC1N(CCc1csc3ccccc13)C2.CCCC1(C)CC2C=CC1N(CCc1c[nH]c3ccccc13)C2.CCCC1CC2C=CC1N(CCc1c[nH]c3ccc(F)cc13)C2.CCCCC1CC2C=CC1N(CCc1c[nH]c3ccccc13)C2.Fc1ccc2[nH]cc(CCN3CC4C=CC3C(Cc3ccccc3)C4)c2c1
InChIInChI=1S/C25H28N2O.C24H25FN2.C24H26N2.2C21H28N2.C20H25FN2.C19H23NS/c1-2-6-19(7-3-1)17-28-18-22-14-20-10-11-25(22)27(16-20)13-12-21-15-26-24-9-5-4-8-23(21)24;25-21-7-8-23-22(14-21)19(15-26-23)10-11-27-16-18-6-9-24(27)20(13-18)12-17-4-2-1-3-5-17;1-2-6-18(7-3-1)14-21-15-19-10-11-24(21)26(17-19)13-12-20-16-25-23-9-5-4-8-22(20)23;1-3-11-21(2)13-16-8-9-20(21)23(15-16)12-10-17-14-22-19-7-5-4-6-18(17)19;1-2-3-6-17-13-16-9-10-21(17)23(15-16)12-11-18-14-22-20-8-5-4-7-19(18)20;1-2-3-15-10-14-4-7-20(15)23(13-14)9-8-16-12-22-19-6-5-17(21)11-18(16)19;1-2-15-11-14-7-8-18(15)20(12-14)10-9-16-13-21-19-6-4-3-5-17(16)19/h1-11,15,20,22,25-26H,12-14,16-18H2;1-9,14-15,18,20,24,26H,10-13,16H2;1-11,16,19,21,24-25H,12-15,17H2;4-9,14,16,20,22H,3,10-13,15H2,1-2H3;4-5,7-10,14,16-17,21-22H,2-3,6,11-13,15H2,1H3;4-7,11-12,14-15,20,22H,2-3,8-10,13H2,1H3;3-8,13-15,18H,2,9-12H2,1H3
InChIKeyRWNQASRFCGERGR-UHFFFAOYSA-N
XLogP33.41
TPSA126.65 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds37
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002302.31
LogP ≤ 533.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-butyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;5-fluoro-3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-[7-(phenylmethoxymethyl)-2-azabicyclo[2.2.2]oct-5-en-2-yl]ethyl]-1H-indole with MolForge

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Launch Full Analysis

Related Compounds

4-[5-(1,2-dimethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine;4-[5-(1,3-dimethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine;4-[2-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]-3-methylpyridine;4-[2-(4-methoxyphenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;4-[5-(1-methylpiperidin-4-yl)-2-(4-thiophen-3-ylphenyl)-1H-pyrrol-3-yl]pyridine;4-[5-(1-methylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]pyridine
CID 164976025
4-[5-(1,2-dimethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine;4-[5-(1,3-dimethylpiperidin-4-yl)-2-(4-fluorophenyl)-1H-pyrrol-3-yl]pyridine;4-[2-(4-methoxyphenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine;4-[5-(1-methylpiperidin-4-yl)-2-(4-thiophen-3-ylphenyl)-1H-pyrrol-3-yl]pyridine;4-[5-(1-methylpiperidin-4-yl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]pyridine
CID 165067612
2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1-(4-methylphenyl)sulfonylindole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;methane
CID 158485571
3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-butyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-4-fluoro-1H-indole;5-fluoro-3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-[7-(phenylmethoxymethyl)-2-azabicyclo[2.2.2]oct-5-en-2-yl]ethyl]-1H-indole
CID 158656214
2-[2-(1-benzothiophen-3-yl)ethyl]-7-benzyl-2-azabicyclo[2.2.2]oct-5-ene;2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;bis(3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-4-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;methane
CID 158875715
2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-butyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-4-fluoro-1H-indole;5-fluoro-3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-[7-(phenylmethoxymethyl)-2-azabicyclo[2.2.2]oct-5-en-2-yl]ethyl]-1H-indole
CID 159951570
2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;bis(3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole);3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1-(4-methylphenyl)sulfonylindole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;methane
CID 161649153
2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(6-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1-(4-methylphenyl)sulfonylindole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;3-[2-(7-ethyl-7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole;5-fluoro-3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole
CID 162245673
4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]-N,N-bis[4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]phenyl]aniline
CID 175536380

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-butyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;5-fluoro-3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-[7-(phenylmethoxymethyl)-2-azabicyclo[2.2.2]oct-5-en-2-yl]ethyl]-1H-indole?
The IUPAC name of 2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-butyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;5-fluoro-3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-[7-(phenylmethoxymethyl)-2-azabicyclo[2.2.2]oct-5-en-2-yl]ethyl]-1H-indole (CID 160748797) is 2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-butyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;5-fluoro-3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-[7-(phenylmethoxymethyl)-2-azabicyclo[2.2.2]oct-5-en-2-yl]ethyl]-1H-indole.
What is the SMILES notation for 2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-butyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;5-fluoro-3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-[7-(phenylmethoxymethyl)-2-azabicyclo[2.2.2]oct-5-en-2-yl]ethyl]-1H-indole?
The canonical SMILES for 2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-butyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;5-fluoro-3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-[7-(phenylmethoxymethyl)-2-azabicyclo[2.2.2]oct-5-en-2-yl]ethyl]-1H-indole is C1=CC2C(COCc3ccccc3)CC1CN2CCc1c[nH]c2ccccc12.C1=CC2C(Cc3ccccc3)CC1CN2CCc1c[nH]c2ccccc12.CCC1CC2C=CC1N(CCc1csc3ccccc13)C2.CCCC1(C)CC2C=CC1N(CCc1c[nH]c3ccccc13)C2.CCCC1CC2C=CC1N(CCc1c[nH]c3ccc(F)cc13)C2.CCCCC1CC2C=CC1N(CCc1c[nH]c3ccccc13)C2.Fc1ccc2[nH]cc(CCN3CC4C=CC3C(Cc3ccccc3)C4)c2c1.
What is the InChIKey of 2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-butyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;5-fluoro-3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-[7-(phenylmethoxymethyl)-2-azabicyclo[2.2.2]oct-5-en-2-yl]ethyl]-1H-indole?
The InChIKey is RWNQASRFCGERGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O.C24H25FN2.C24H26N2.2C21H28N2.C20H25FN2.C19H23NS/c1-2-6-19(7-3-1)17-28-18-22-14-20-10-11-25(22)27(16-20)13-12-21-15-26-24-9-5-4-8-23(21)24;25-21-7-8-23-22(14-21)19(15-26-23)10-11-27-16-18-6-9-24(27)20(13-18)12-17-4-2-1-3-5-17;1-2-6-18(7-3-1)14-21-15-19-10-11-24(21)26(17-19)13-12-20-16-25-23-9-5-4-8-22(20)23;1-3-11-21(2)13-16-8-9-20(21)23(15-16)12-10-17-14-22-19-7-5-4-6-18(17)19;1-2-3-6-17-13-16-9-10-21(17)23(15-16)12-11-18-14-22-20-8-5-4-7-19(18)20;1-2-3-15-10-14-4-7-20(15)23(13-14)9-8-16-12-22-19-6-5-17(21)11-18(16)19;1-2-15-11-14-7-8-18(15)20(12-14)10-9-16-13-21-19-6-4-3-5-17(16)19/h1-11,15,20,22,25-26H,12-14,16-18H2;1-9,14-15,18,20,24,26H,10-13,16H2;1-11,16,19,21,24-25H,12-15,17H2;4-9,14,16,20,22H,3,10-13,15H2,1-2H3;4-5,7-10,14,16-17,21-22H,2-3,6,11-13,15H2,1H3;4-7,11-12,14-15,20,22H,2-3,8-10,13H2,1H3;3-8,13-15,18H,2,9-12H2,1H3.
What are the key properties of 2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-butyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;5-fluoro-3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-[7-(phenylmethoxymethyl)-2-azabicyclo[2.2.2]oct-5-en-2-yl]ethyl]-1H-indole?
2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-butyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;5-fluoro-3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-[7-(phenylmethoxymethyl)-2-azabicyclo[2.2.2]oct-5-en-2-yl]ethyl]-1H-indole has a molecular weight of 2302.31 g/mol, XLogP of 33.41, 37 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzothiophen-3-yl)ethyl]-7-ethyl-2-azabicyclo[2.2.2]oct-5-ene;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(7-benzyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-butyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;5-fluoro-3-[2-(7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-(7-methyl-7-propyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[2-[7-(phenylmethoxymethyl)-2-azabicyclo[2.2.2]oct-5-en-2-yl]ethyl]-1H-indole is sourced from PubChem (CID 160748797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).