(5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-acetyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;(5-benzoyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;methane;(5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate

C128H144N12O16+6 — CID 159382765

IUPAC(5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-acetyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;(5-benzoyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;methane;(5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate
SMILESC.C.C.C.C.C.CC(=O)c1ccc2[nH]c(COC(=O)Cc3ccc[n+](C)c3)cc2c1.CC(=O)c1ccc2[nH]c(COC(=O)c3ccc[n+](C)c3)cc2c1.CC(C)c1ccc2[nH]c(COC(=O)Cc3ccc[n+](C)c3)cc2c1.CC(C)c1ccc2[nH]c(COC(=O)c3ccc[n+](C)c3)cc2c1.C[n+]1cccc(C(=O)OCc2cc3cc(Oc4ccccc4)ccc3[nH]2)c1.C[n+]1cccc(CC(=O)OCc2cc3cc(C(=O)c4ccccc4)ccc3[nH]2)c1
InChIInChI=1S/C24H20N2O3.C22H19N2O3.C20H23N2O2.C19H18N2O3.C19H21N2O2.C18H16N2O3.6CH4/c1-26-11-5-6-17(15-26)12-23(27)29-16-21-14-20-13-19(9-10-22(20)25-21)24(28)18-7-3-2-4-8-18;1-24-11-5-6-16(14-24)22(25)26-15-18-12-17-13-20(9-10-21(17)23-18)27-19-7-3-2-4-8-19;1-14(2)16-6-7-19-17(10-16)11-18(21-19)13-24-20(23)9-15-5-4-8-22(3)12-15;1-13(22)15-5-6-18-16(9-15)10-17(20-18)12-24-19(23)8-14-4-3-7-21(2)11-14;1-13(2)14-6-7-18-16(9-14)10-17(20-18)12-23-19(22)15-5-4-8-21(3)11-15;1-12(21)13-5-6-17-15(8-13)9-16(19-17)11-23-18(22)14-4-3-7-20(2)10-14;;;;;;/h2-11,13-15H,12,16H2,1H3;2-14,23H,15H2,1H3;4-8,10-12,14,21H,9,13H2,1-3H3;3-7,9-11H,8,12H2,1-2H3;4-11,13,20H,12H2,1-3H3;3-10H,11H2,1-2H3;6*1H4/q;2*+1;;+1;;;;;;;/p+3
InChIKeyLLCVPFLSPHWCSU-UHFFFAOYSA-Q
MW2106.63 g/mol
LogP23.38
Rot. Bonds29

About (5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-acetyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;(5-benzoyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;methane;(5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate

(5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-acetyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;(5-benzoyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;methane;(5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate (PubChem CID 159382765) has the molecular formula C128H144N12O16+6 and a molecular weight of 2106.63 g/mol. Its IUPAC name is (5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-acetyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;(5-benzoyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;methane;(5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate.

Molecular Properties

Compound Name(5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-acetyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;(5-benzoyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;methane;(5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate
PubChem CID159382765
Molecular FormulaC128H144N12O16+6
Molecular Weight2106.63 g/mol
Exact Mass2105.08
IUPAC Name(5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-acetyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;(5-benzoyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;methane;(5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate
SMILESC.C.C.C.C.C.CC(=O)c1ccc2[nH]c(COC(=O)Cc3ccc[n+](C)c3)cc2c1.CC(=O)c1ccc2[nH]c(COC(=O)c3ccc[n+](C)c3)cc2c1.CC(C)c1ccc2[nH]c(COC(=O)Cc3ccc[n+](C)c3)cc2c1.CC(C)c1ccc2[nH]c(COC(=O)c3ccc[n+](C)c3)cc2c1.C[n+]1cccc(C(=O)OCc2cc3cc(Oc4ccccc4)ccc3[nH]2)c1.C[n+]1cccc(CC(=O)OCc2cc3cc(C(=O)c4ccccc4)ccc3[nH]2)c1
InChIInChI=1S/C24H20N2O3.C22H19N2O3.C20H23N2O2.C19H18N2O3.C19H21N2O2.C18H16N2O3.6CH4/c1-26-11-5-6-17(15-26)12-23(27)29-16-21-14-20-13-19(9-10-22(20)25-21)24(28)18-7-3-2-4-8-18;1-24-11-5-6-16(14-24)22(25)26-15-18-12-17-13-20(9-10-21(17)23-18)27-19-7-3-2-4-8-19;1-14(2)16-6-7-19-17(10-16)11-18(21-19)13-24-20(23)9-15-5-4-8-22(3)12-15;1-13(22)15-5-6-18-16(9-15)10-17(20-18)12-24-19(23)8-14-4-3-7-21(2)11-14;1-13(2)14-6-7-18-16(9-14)10-17(20-18)12-23-19(22)15-5-4-8-21(3)11-15;1-12(21)13-5-6-17-15(8-13)9-16(19-17)11-23-18(22)14-4-3-7-20(2)10-14;;;;;;/h2-11,13-15H,12,16H2,1H3;2-14,23H,15H2,1H3;4-8,10-12,14,21H,9,13H2,1-3H3;3-7,9-11H,8,12H2,1-2H3;4-11,13,20H,12H2,1-3H3;3-10H,11H2,1-2H3;6*1H4/q;2*+1;;+1;;;;;;;/p+3
InChIKeyLLCVPFLSPHWCSU-UHFFFAOYSA-Q
XLogP23.38
TPSA336.26 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds29
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002106.63
LogP ≤ 523.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-acetyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;(5-benzoyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;methane;(5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate with MolForge

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Related Compounds

3-amino-4-(5-methoxy-1H-indol-3-yl)butan-2-one;1-(1,2-dimethylindol-3-yl)ethanone;(3-methyl-1H-indol-5-yl)methanol;5-methyl-3-(1,1,1-trifluoropropan-2-yl)-1H-indole;4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-2-one
CID 158346067
5-(4-benzylpiperidine-1-carbonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-3-carboxamide;5-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]-1H-indole-3-carboxamide;[3-(4-benzylpiperidine-1-carbonyl)-1H-indol-5-yl]-(4-benzylpiperidin-1-yl)methanone;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone
CID 159533361
1-[1-[3-(4-Benzoylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[4-(4-butylpiperidin-1-yl)butyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[2-methyl-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;2,2,2-trifluoro-1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 159700021
1-[(1S)-1-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl]-4-phenylmethoxypyridin-2-one;1-[(3S)-3-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl]-4-phenylmethoxypyridin-2-one;1-[(1S)-1-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl]-4-(pyridin-2-ylmethoxy)pyridin-2-one;1-[(3S)-3-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl]-4-(pyridin-2-ylmethoxy)pyridin-2-one;4-phenylmethoxy-1-(2-propan-2-yl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one;1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]pyridin-2-one
CID 160187579
1-[1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-morpholin-4-ylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone
CID 161132411
1-[1-[3-(4-Benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[6-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]-3-methylbutan-1-one;2,2,2-trifluoro-1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 161285548
2-[1-[2-[3-(1,1-difluoroethyl)phenyl]acetyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;2-[1-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide;ethyl 4-[2-[4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]piperidin-1-yl]-2-oxoethyl]benzoate;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]acetamide;methyl 2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetate
CID 161787789
8-(3,8,13-Triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-4-[5-[6-[8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[4,3-b]indol-8-yl]-[1]benzofuro[3,2-b]pyridine
CID 58099614
9-[4-[2,8-Bis(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-4-yl]-8-(3,6-dipyridin-3-ylcarbazol-9-yl)dibenzofuran-2-yl]-3,6-dipyridin-3-ylcarbazole
CID 58099635
6-[2-[3-(8-Oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)carbazol-9-yl]-8-[3-(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-6-yl)phenyl]dibenzofuran-4-yl]-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 58099767
9-[8-(3,6-Dipyridin-2-ylcarbazol-9-yl)-4-[3-(3,6-dipyridin-2-ylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole
CID 58099841
[3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-5-yl]methyl 3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylate
CID 67808218

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-acetyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;(5-benzoyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;methane;(5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate?
The IUPAC name of (5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-acetyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;(5-benzoyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;methane;(5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate (CID 159382765) is (5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-acetyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;(5-benzoyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;methane;(5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate.
What is the SMILES notation for (5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-acetyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;(5-benzoyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;methane;(5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate?
The canonical SMILES for (5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-acetyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;(5-benzoyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;methane;(5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate is C.C.C.C.C.C.CC(=O)c1ccc2[nH]c(COC(=O)Cc3ccc[n+](C)c3)cc2c1.CC(=O)c1ccc2[nH]c(COC(=O)c3ccc[n+](C)c3)cc2c1.CC(C)c1ccc2[nH]c(COC(=O)Cc3ccc[n+](C)c3)cc2c1.CC(C)c1ccc2[nH]c(COC(=O)c3ccc[n+](C)c3)cc2c1.C[n+]1cccc(C(=O)OCc2cc3cc(Oc4ccccc4)ccc3[nH]2)c1.C[n+]1cccc(CC(=O)OCc2cc3cc(C(=O)c4ccccc4)ccc3[nH]2)c1.
What is the InChIKey of (5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-acetyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;(5-benzoyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;methane;(5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate?
The InChIKey is LLCVPFLSPHWCSU-UHFFFAOYSA-Q. The full InChI is InChI=1S/C24H20N2O3.C22H19N2O3.C20H23N2O2.C19H18N2O3.C19H21N2O2.C18H16N2O3.6CH4/c1-26-11-5-6-17(15-26)12-23(27)29-16-21-14-20-13-19(9-10-22(20)25-21)24(28)18-7-3-2-4-8-18;1-24-11-5-6-16(14-24)22(25)26-15-18-12-17-13-20(9-10-21(17)23-18)27-19-7-3-2-4-8-19;1-14(2)16-6-7-19-17(10-16)11-18(21-19)13-24-20(23)9-15-5-4-8-22(3)12-15;1-13(22)15-5-6-18-16(9-15)10-17(20-18)12-24-19(23)8-14-4-3-7-21(2)11-14;1-13(2)14-6-7-18-16(9-14)10-17(20-18)12-23-19(22)15-5-4-8-21(3)11-15;1-12(21)13-5-6-17-15(8-13)9-16(19-17)11-23-18(22)14-4-3-7-20(2)10-14;;;;;;/h2-11,13-15H,12,16H2,1H3;2-14,23H,15H2,1H3;4-8,10-12,14,21H,9,13H2,1-3H3;3-7,9-11H,8,12H2,1-2H3;4-11,13,20H,12H2,1-3H3;3-10H,11H2,1-2H3;6*1H4/q;2*+1;;+1;;;;;;;/p+3.
What are the key properties of (5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-acetyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;(5-benzoyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;methane;(5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate?
(5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-acetyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;(5-benzoyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;methane;(5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate has a molecular weight of 2106.63 g/mol, XLogP of 23.38, 29 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-acetyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;(5-benzoyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate;methane;(5-phenoxy-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate;(5-propan-2-yl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate is sourced from PubChem (CID 159382765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).