ethyl (E)-2-cyano-3-[1-[(3-fluoro-4-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[(3-fluoro-5-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[(4-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]indol-3-yl]prop-2-enoate;(Z)-3-[1-(4-methoxyphenyl)indol-3-yl]-2-methylprop-2-enenitrile

C108H93F5N10O9 — CID 159861549

IUPACethyl (E)-2-cyano-3-[1-[(3-fluoro-4-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[(3-fluoro-5-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[(4-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]indol-3-yl]prop-2-enoate;(Z)-3-[1-(4-methoxyphenyl)indol-3-yl]-2-methylprop-2-enenitrile
SMILESCCOC(=O)/C(C#N)=C/c1cn(Cc2cc(C)cc(C(F)(F)F)c2)c2ccccc12.CCOC(=O)/C(C#N)=C/c1cn(Cc2cc(C)cc(F)c2)c2ccccc12.CCOC(=O)/C(C#N)=C/c1cn(Cc2ccc(C)c(F)c2)c2ccccc12.CCOC(=O)/C(C#N)=C/c1cn(Cc2ccc(C)cc2)c2ccccc12.COc1ccc(-n2cc(/C=C(/C)C#N)c3ccccc32)cc1
InChIInChI=1S/C23H19F3N2O2.2C22H19FN2O2.C22H20N2O2.C19H16N2O/c1-3-30-22(29)17(12-27)11-18-14-28(21-7-5-4-6-20(18)21)13-16-8-15(2)9-19(10-16)23(24,25)26;1-3-27-22(26)17(12-24)11-18-14-25(21-7-5-4-6-20(18)21)13-16-8-15(2)9-19(23)10-16;1-3-27-22(26)17(12-24)11-18-14-25(21-7-5-4-6-19(18)21)13-16-9-8-15(2)20(23)10-16;1-3-26-22(25)18(13-23)12-19-15-24(21-7-5-4-6-20(19)21)14-17-10-8-16(2)9-11-17;1-14(12-20)11-15-13-21(19-6-4-3-5-18(15)19)16-7-9-17(22-2)10-8-16/h4-11,14H,3,13H2,1-2H3;2*4-11,14H,3,13H2,1-2H3;4-12,15H,3,14H2,1-2H3;3-11,13H,1-2H3/b3*17-11+;18-12+;14-11-
InChIKeyNRFBJMPIMNBYOE-CULLWZTRSA-N
MW1769.98 g/mol
LogP23.74
Rot. Bonds23

About ethyl (E)-2-cyano-3-[1-[(3-fluoro-4-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[(3-fluoro-5-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[(4-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]indol-3-yl]prop-2-enoate;(Z)-3-[1-(4-methoxyphenyl)indol-3-yl]-2-methylprop-2-enenitrile

ethyl (E)-2-cyano-3-[1-[(3-fluoro-4-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[(3-fluoro-5-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[(4-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]indol-3-yl]prop-2-enoate;(Z)-3-[1-(4-methoxyphenyl)indol-3-yl]-2-methylprop-2-enenitrile (PubChem CID 159861549) has the molecular formula C108H93F5N10O9 and a molecular weight of 1769.98 g/mol. Its IUPAC name is ethyl (E)-2-cyano-3-[1-[(3-fluoro-4-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[(3-fluoro-5-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[(4-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]indol-3-yl]prop-2-enoate;(Z)-3-[1-(4-methoxyphenyl)indol-3-yl]-2-methylprop-2-enenitrile.

Molecular Properties

Compound Nameethyl (E)-2-cyano-3-[1-[(3-fluoro-4-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[(3-fluoro-5-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[(4-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]indol-3-yl]prop-2-enoate;(Z)-3-[1-(4-methoxyphenyl)indol-3-yl]-2-methylprop-2-enenitrile
PubChem CID159861549
Molecular FormulaC108H93F5N10O9
Molecular Weight1769.98 g/mol
Exact Mass1768.70
IUPAC Nameethyl (E)-2-cyano-3-[1-[(3-fluoro-4-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[(3-fluoro-5-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[(4-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]indol-3-yl]prop-2-enoate;(Z)-3-[1-(4-methoxyphenyl)indol-3-yl]-2-methylprop-2-enenitrile
SMILESCCOC(=O)/C(C#N)=C/c1cn(Cc2cc(C)cc(C(F)(F)F)c2)c2ccccc12.CCOC(=O)/C(C#N)=C/c1cn(Cc2cc(C)cc(F)c2)c2ccccc12.CCOC(=O)/C(C#N)=C/c1cn(Cc2ccc(C)c(F)c2)c2ccccc12.CCOC(=O)/C(C#N)=C/c1cn(Cc2ccc(C)cc2)c2ccccc12.COc1ccc(-n2cc(/C=C(/C)C#N)c3ccccc32)cc1
InChIInChI=1S/C23H19F3N2O2.2C22H19FN2O2.C22H20N2O2.C19H16N2O/c1-3-30-22(29)17(12-27)11-18-14-28(21-7-5-4-6-20(18)21)13-16-8-15(2)9-19(10-16)23(24,25)26;1-3-27-22(26)17(12-24)11-18-14-25(21-7-5-4-6-20(18)21)13-16-8-15(2)9-19(23)10-16;1-3-27-22(26)17(12-24)11-18-14-25(21-7-5-4-6-19(18)21)13-16-9-8-15(2)20(23)10-16;1-3-26-22(25)18(13-23)12-19-15-24(21-7-5-4-6-20(19)21)14-17-10-8-16(2)9-11-17;1-14(12-20)11-15-13-21(19-6-4-3-5-18(15)19)16-7-9-17(22-2)10-8-16/h4-11,14H,3,13H2,1-2H3;2*4-11,14H,3,13H2,1-2H3;4-12,15H,3,14H2,1-2H3;3-11,13H,1-2H3/b3*17-11+;18-12+;14-11-
InChIKeyNRFBJMPIMNBYOE-CULLWZTRSA-N
XLogP23.74
TPSA258.03 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds23
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001769.98
LogP ≤ 523.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (E)-2-cyano-3-[1-[(3-fluoro-4-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[(3-fluoro-5-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[(4-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]indol-3-yl]prop-2-enoate;(Z)-3-[1-(4-methoxyphenyl)indol-3-yl]-2-methylprop-2-enenitrile with MolForge

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Related Compounds

9-[[3,5-bis[[3,6-bis(4-methyl-N-(4-methylphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methylphenyl)carbazole-3,6-diamine;9-[[3-[[3-(4-methoxy-N-(4-methoxyphenyl)anilino)-6-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)carbazol-9-yl]methyl]-5-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
CID 157577698
1-(2,5-Difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid
CID 157710840
[2-[2-Carbazol-9-yl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;2-(2,3-diphenylbenzene-6-id-1-yl)-4-methoxypyridine;3-[4-(hydroxymethyl)-2-pyridinyl]-4,5-diphenylbenzene-2-ide-1-carbonitrile;4-hydroxypent-3-en-2-one;[2-(3-isocyano-5-phenylbenzene-6-id-1-yl)-4-pyridinyl]methanol;4-methoxy-2-[5-methyl-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine;9-[2-(4-methoxy-2-pyridinyl)-4-methylbenzene-3-id-1-yl]carbazole;platinum;tris(platinum(2+));[2-[5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-4-pyridinyl]methanol
CID 157954871
Ethyl 4,6-difluoro-2-methyl-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate;ethyl 4-fluoro-5-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)indole-1-carboxylate;1-[4-fluoro-5-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)indol-1-yl]ethanone;methyl 4,6-difluoro-2-methyl-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate;methyl 4,7-difluoro-2-methyl-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate;methyl 4-fluoro-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate;methyl 4-fluoro-5-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)indole-1-carboxylate
CID 157971349
[2-[[1-Ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxymethyl]-2-methylbutyl] 2-methylprop-2-enoate;[2-[(1-ethyl-2-phenylindol-6-yl)oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(4-ethylphenyl)-1-(4-methylpentyl)indol-6-yl]oxymethyl]-2-methylbutyl] prop-2-enoate;[2-[[2-(2-ethylphenyl)-1-propan-2-ylindol-6-yl]oxymethyl]-4,4,4-trifluoro-2-methylbutyl] 2-methylprop-2-enoate;[2-methyl-2-[(1-methyl-2-phenylindol-6-yl)oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-(4-methylpentyl)-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] 2-methylprop-2-enoate;[4,4,4-trifluoro-2-methyl-2-[[1-pentyl-2-[4-pentyl-2-(trifluoromethyl)phenyl]indol-6-yl]oxymethyl]butyl] prop-2-enoate
CID 158111400
9-[[3,5-bis[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
CID 158670512
1-(2,5-Difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-(3-methylphenyl)indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid
CID 159228066
[5-[2-(2,6-Diethyl-3-pyridinyl)-1-methylindol-6-yl]oxy-2,2,3,3,4,4-hexafluoropentyl] prop-2-enoate;[8-[1-ethyl-2-(2-ethyl-4-pentylphenyl)indol-6-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[8-[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[8-[2-(2-ethylphenyl)-1-(2-methylpropyl)indol-6-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] prop-2-enoate;[8-[2-(4-ethylphenyl)-1-propan-2-ylindol-6-yl]oxy-3,3,4,4,5,5,6,6-octafluorooctyl] 2-methylprop-2-enoate;[2,2,3,3,4,4-hexafluoro-5-(1-methyl-2-pyridin-3-ylindol-6-yl)oxypentyl] prop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-[1-(4-methylpentyl)-2-phenylindol-6-yl]oxyoctyl] 2-methylprop-2-enoate;[3,3,4,4,5,5,6,6-octafluoro-8-(1-pentyl-2-phenylindol-6-yl)oxyoctyl] prop-2-enoate
CID 159310591
9-[[3-[[3-(4-methoxy-N-(4-methoxyphenyl)anilino)-6-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)carbazol-9-yl]methyl]-5-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9-[[2,4,5-tris[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]carbazole-3,6-diamine
CID 159732955
1-(2,5-Difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid
CID 160088405
[4,4-Difluoro-7-[1-(4-methylpentyl)-2-(2-methyl-4-pentylphenyl)indol-6-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[2-(2-methyl-4-pentylphenyl)-1-(2-methylpropyl)indol-6-yl]oxyheptyl] prop-2-enoate;[4,4-difluoro-7-[2-(2-methyl-4-pentylphenyl)-1-propan-2-ylindol-6-yl]oxyheptyl] 2-methylprop-2-enoate;[7-[2-(2-ethyl-4-pentylphenyl)-1-methylindol-6-yl]oxy-4,4-difluoroheptyl] prop-2-enoate;[7-[2-(2-ethyl-4-pentylphenyl)-1-pentylindol-6-yl]oxy-4,4-difluoroheptyl] 2-methylprop-2-enoate
CID 161158000
3-[2,6-Dimethyl-9-[4-(2,4,6-trimethylphenyl)phenyl]carbazol-3-yl]-2,6-dimethyl-9-[4-(2,4,6-trimethylphenyl)phenyl]carbazole;3-[1-(9-ethylcarbazol-3-yl)cyclohexyl]-9-phenylcarbazole;3-[1,1,1,3,3,3-hexafluoro-2-(9-phenylcarbazol-3-yl)propan-2-yl]-9-phenylcarbazole;9-(4-methoxyphenyl)-3-[1-[9-(4-methoxyphenyl)carbazol-3-yl]cyclohexyl]carbazole;9-phenyl-3-[1-(9-phenylcarbazol-3-yl)cyclohexyl]carbazole
CID 161855097

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-cyano-3-[1-[(3-fluoro-4-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[(3-fluoro-5-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[(4-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]indol-3-yl]prop-2-enoate;(Z)-3-[1-(4-methoxyphenyl)indol-3-yl]-2-methylprop-2-enenitrile?
The IUPAC name of ethyl (E)-2-cyano-3-[1-[(3-fluoro-4-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[(3-fluoro-5-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[(4-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]indol-3-yl]prop-2-enoate;(Z)-3-[1-(4-methoxyphenyl)indol-3-yl]-2-methylprop-2-enenitrile (CID 159861549) is ethyl (E)-2-cyano-3-[1-[(3-fluoro-4-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[(3-fluoro-5-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[(4-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]indol-3-yl]prop-2-enoate;(Z)-3-[1-(4-methoxyphenyl)indol-3-yl]-2-methylprop-2-enenitrile.
What is the SMILES notation for ethyl (E)-2-cyano-3-[1-[(3-fluoro-4-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[(3-fluoro-5-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[(4-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]indol-3-yl]prop-2-enoate;(Z)-3-[1-(4-methoxyphenyl)indol-3-yl]-2-methylprop-2-enenitrile?
The canonical SMILES for ethyl (E)-2-cyano-3-[1-[(3-fluoro-4-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[(3-fluoro-5-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[(4-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]indol-3-yl]prop-2-enoate;(Z)-3-[1-(4-methoxyphenyl)indol-3-yl]-2-methylprop-2-enenitrile is CCOC(=O)/C(C#N)=C/c1cn(Cc2cc(C)cc(C(F)(F)F)c2)c2ccccc12.CCOC(=O)/C(C#N)=C/c1cn(Cc2cc(C)cc(F)c2)c2ccccc12.CCOC(=O)/C(C#N)=C/c1cn(Cc2ccc(C)c(F)c2)c2ccccc12.CCOC(=O)/C(C#N)=C/c1cn(Cc2ccc(C)cc2)c2ccccc12.COc1ccc(-n2cc(/C=C(/C)C#N)c3ccccc32)cc1.
What is the InChIKey of ethyl (E)-2-cyano-3-[1-[(3-fluoro-4-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[(3-fluoro-5-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[(4-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]indol-3-yl]prop-2-enoate;(Z)-3-[1-(4-methoxyphenyl)indol-3-yl]-2-methylprop-2-enenitrile?
The InChIKey is NRFBJMPIMNBYOE-CULLWZTRSA-N. The full InChI is InChI=1S/C23H19F3N2O2.2C22H19FN2O2.C22H20N2O2.C19H16N2O/c1-3-30-22(29)17(12-27)11-18-14-28(21-7-5-4-6-20(18)21)13-16-8-15(2)9-19(10-16)23(24,25)26;1-3-27-22(26)17(12-24)11-18-14-25(21-7-5-4-6-20(18)21)13-16-8-15(2)9-19(23)10-16;1-3-27-22(26)17(12-24)11-18-14-25(21-7-5-4-6-19(18)21)13-16-9-8-15(2)20(23)10-16;1-3-26-22(25)18(13-23)12-19-15-24(21-7-5-4-6-20(19)21)14-17-10-8-16(2)9-11-17;1-14(12-20)11-15-13-21(19-6-4-3-5-18(15)19)16-7-9-17(22-2)10-8-16/h4-11,14H,3,13H2,1-2H3;2*4-11,14H,3,13H2,1-2H3;4-12,15H,3,14H2,1-2H3;3-11,13H,1-2H3/b3*17-11+;18-12+;14-11-.
What are the key properties of ethyl (E)-2-cyano-3-[1-[(3-fluoro-4-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[(3-fluoro-5-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[(4-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]indol-3-yl]prop-2-enoate;(Z)-3-[1-(4-methoxyphenyl)indol-3-yl]-2-methylprop-2-enenitrile?
ethyl (E)-2-cyano-3-[1-[(3-fluoro-4-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[(3-fluoro-5-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[(4-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]indol-3-yl]prop-2-enoate;(Z)-3-[1-(4-methoxyphenyl)indol-3-yl]-2-methylprop-2-enenitrile has a molecular weight of 1769.98 g/mol, XLogP of 23.74, 23 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-cyano-3-[1-[(3-fluoro-4-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[(3-fluoro-5-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[(4-methylphenyl)methyl]indol-3-yl]prop-2-enoate;ethyl (E)-2-cyano-3-[1-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]indol-3-yl]prop-2-enoate;(Z)-3-[1-(4-methoxyphenyl)indol-3-yl]-2-methylprop-2-enenitrile is sourced from PubChem (CID 159861549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).