2-aminoethanol;chloromethylidene(dimethyl)azanium;1,3-dihydroindol-2-one;ethyl 5-formyl-4-methyl-1H-pyrrole-2-carboxylate;ethyl 4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate;ethyl 4-methyl-1H-pyrrole-2-carboxylate;N-(2-hydroxyethyl)-4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide;(3Z)-3-[[5-(hydroxymethyl)-3-methyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylic acid;(3Z)-3-[[3-methyl-5-(pyridin-1-ium-1-ylmethyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;dichloride

C114H120Cl3N17O19 — CID 159777929

IUPAC2-aminoethanol;chloromethylidene(dimethyl)azanium;1,3-dihydroindol-2-one;ethyl 5-formyl-4-methyl-1H-pyrrole-2-carboxylate;ethyl 4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate;ethyl 4-methyl-1H-pyrrole-2-carboxylate;N-(2-hydroxyethyl)-4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide;(3Z)-3-[[5-(hydroxymethyl)-3-methyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylic acid;(3Z)-3-[[3-methyl-5-(pyridin-1-ium-1-ylmethyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;dichloride
SMILESCCOC(=O)c1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1.CCOC(=O)c1cc(C)c(C=O)[nH]1.CCOC(=O)c1cc(C)c[nH]1.C[N+](C)=CCl.Cc1cc(C(=O)NCCO)[nH]c1/C=C1\C(=O)Nc2ccccc21.Cc1cc(C(=O)O)[nH]c1/C=C1\C(=O)Nc2ccccc21.Cc1cc(CO)[nH]c1/C=C1\C(=O)Nc2ccccc21.Cc1cc(C[n+]2ccccc2)[nH]c1/C=C1\C(=O)Nc2ccccc21.NCCO.O=C1Cc2ccccc2N1.[Cl-].[Cl-]
InChIInChI=1S/C20H17N3O.C17H17N3O3.C17H16N2O3.C15H12N2O3.C15H14N2O2.C9H11NO3.C8H11NO2.C8H7NO.C3H7ClN.C2H7NO.2ClH/c1-14-11-15(13-23-9-5-2-6-10-23)21-19(14)12-17-16-7-3-4-8-18(16)22-20(17)24;1-10-8-15(17(23)18-6-7-21)19-14(10)9-12-11-4-2-3-5-13(11)20-16(12)22;1-3-22-17(21)15-8-10(2)14(18-15)9-12-11-6-4-5-7-13(11)19-16(12)20;1-8-6-13(15(19)20)16-12(8)7-10-9-4-2-3-5-11(9)17-14(10)18;1-9-6-10(8-18)16-14(9)7-12-11-4-2-3-5-13(11)17-15(12)19;1-3-13-9(12)7-4-6(2)8(5-11)10-7;1-3-11-8(10)7-4-6(2)5-9-7;10-8-5-6-3-1-2-4-7(6)9-8;1-5(2)3-4;3-1-2-4;;/h2-12H,13H2,1H3,(H-,21,22,24);2-5,8-9,19,21H,6-7H2,1H3,(H,18,23)(H,20,22);4-9,18H,3H2,1-2H3,(H,19,20);2-7,16H,1H3,(H,17,18)(H,19,20);2-7,16,18H,8H2,1H3,(H,17,19);4-5,10H,3H2,1-2H3;4-5,9H,3H2,1-2H3;1-4H,5H2,(H,9,10);3H,1-2H3;4H,1-3H2;2*1H/q;;;;;;;;+1;;;/p-1/b;2*12-9-;10-7-;12-7-;;;;;;;
InChIKeyAGADEJWQMUDZSF-VRMSXIFISA-M
MW2138.67 g/mol
LogP9.97
Rot. Bonds20

About 2-aminoethanol;chloromethylidene(dimethyl)azanium;1,3-dihydroindol-2-one;ethyl 5-formyl-4-methyl-1H-pyrrole-2-carboxylate;ethyl 4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate;ethyl 4-methyl-1H-pyrrole-2-carboxylate;N-(2-hydroxyethyl)-4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide;(3Z)-3-[[5-(hydroxymethyl)-3-methyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylic acid;(3Z)-3-[[3-methyl-5-(pyridin-1-ium-1-ylmethyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;dichloride

2-aminoethanol;chloromethylidene(dimethyl)azanium;1,3-dihydroindol-2-one;ethyl 5-formyl-4-methyl-1H-pyrrole-2-carboxylate;ethyl 4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate;ethyl 4-methyl-1H-pyrrole-2-carboxylate;N-(2-hydroxyethyl)-4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide;(3Z)-3-[[5-(hydroxymethyl)-3-methyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylic acid;(3Z)-3-[[3-methyl-5-(pyridin-1-ium-1-ylmethyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;dichloride (PubChem CID 159777929) has the molecular formula C114H120Cl3N17O19 and a molecular weight of 2138.67 g/mol. Its IUPAC name is 2-aminoethanol;chloromethylidene(dimethyl)azanium;1,3-dihydroindol-2-one;ethyl 5-formyl-4-methyl-1H-pyrrole-2-carboxylate;ethyl 4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate;ethyl 4-methyl-1H-pyrrole-2-carboxylate;N-(2-hydroxyethyl)-4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide;(3Z)-3-[[5-(hydroxymethyl)-3-methyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylic acid;(3Z)-3-[[3-methyl-5-(pyridin-1-ium-1-ylmethyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;dichloride.

Molecular Properties

Compound Name2-aminoethanol;chloromethylidene(dimethyl)azanium;1,3-dihydroindol-2-one;ethyl 5-formyl-4-methyl-1H-pyrrole-2-carboxylate;ethyl 4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate;ethyl 4-methyl-1H-pyrrole-2-carboxylate;N-(2-hydroxyethyl)-4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide;(3Z)-3-[[5-(hydroxymethyl)-3-methyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylic acid;(3Z)-3-[[3-methyl-5-(pyridin-1-ium-1-ylmethyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;dichloride
PubChem CID159777929
Molecular FormulaC114H120Cl3N17O19
Molecular Weight2138.67 g/mol
Exact Mass2135.80
IUPAC Name2-aminoethanol;chloromethylidene(dimethyl)azanium;1,3-dihydroindol-2-one;ethyl 5-formyl-4-methyl-1H-pyrrole-2-carboxylate;ethyl 4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate;ethyl 4-methyl-1H-pyrrole-2-carboxylate;N-(2-hydroxyethyl)-4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide;(3Z)-3-[[5-(hydroxymethyl)-3-methyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylic acid;(3Z)-3-[[3-methyl-5-(pyridin-1-ium-1-ylmethyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;dichloride
SMILESCCOC(=O)c1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1.CCOC(=O)c1cc(C)c(C=O)[nH]1.CCOC(=O)c1cc(C)c[nH]1.C[N+](C)=CCl.Cc1cc(C(=O)NCCO)[nH]c1/C=C1\C(=O)Nc2ccccc21.Cc1cc(C(=O)O)[nH]c1/C=C1\C(=O)Nc2ccccc21.Cc1cc(CO)[nH]c1/C=C1\C(=O)Nc2ccccc21.Cc1cc(C[n+]2ccccc2)[nH]c1/C=C1\C(=O)Nc2ccccc21.NCCO.O=C1Cc2ccccc2N1.[Cl-].[Cl-]
InChIInChI=1S/C20H17N3O.C17H17N3O3.C17H16N2O3.C15H12N2O3.C15H14N2O2.C9H11NO3.C8H11NO2.C8H7NO.C3H7ClN.C2H7NO.2ClH/c1-14-11-15(13-23-9-5-2-6-10-23)21-19(14)12-17-16-7-3-4-8-18(16)22-20(17)24;1-10-8-15(17(23)18-6-7-21)19-14(10)9-12-11-4-2-3-5-13(11)20-16(12)22;1-3-22-17(21)15-8-10(2)14(18-15)9-12-11-6-4-5-7-13(11)19-16(12)20;1-8-6-13(15(19)20)16-12(8)7-10-9-4-2-3-5-11(9)17-14(10)18;1-9-6-10(8-18)16-14(9)7-12-11-4-2-3-5-13(11)17-15(12)19;1-3-13-9(12)7-4-6(2)8(5-11)10-7;1-3-11-8(10)7-4-6(2)5-9-7;10-8-5-6-3-1-2-4-7(6)9-8;1-5(2)3-4;3-1-2-4;;/h2-12H,13H2,1H3,(H-,21,22,24);2-5,8-9,19,21H,6-7H2,1H3,(H,18,23)(H,20,22);4-9,18H,3H2,1-2H3,(H,19,20);2-7,16H,1H3,(H,17,18)(H,19,20);2-7,16,18H,8H2,1H3,(H,17,19);4-5,10H,3H2,1-2H3;4-5,9H,3H2,1-2H3;1-4H,5H2,(H,9,10);3H,1-2H3;4H,1-3H2;2*1H/q;;;;;;;;+1;;;/p-1/b;2*12-9-;10-7-;12-7-;;;;;;;
InChIKeyAGADEJWQMUDZSF-VRMSXIFISA-M
XLogP9.97
TPSA541.10 Ų
H-Bond Donors19
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002138.67
LogP ≤ 59.97
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-aminoethanol;chloromethylidene(dimethyl)azanium;1,3-dihydroindol-2-one;ethyl 5-formyl-4-methyl-1H-pyrrole-2-carboxylate;ethyl 4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate;ethyl 4-methyl-1H-pyrrole-2-carboxylate;N-(2-hydroxyethyl)-4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide;(3Z)-3-[[5-(hydroxymethyl)-3-methyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylic acid;(3Z)-3-[[3-methyl-5-(pyridin-1-ium-1-ylmethyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-aminoacetate;ethyl 2-(1H-indole-5-carbonylamino)acetate;2-(1H-indole-5-carbonylamino)acetic acid;1H-indole-5-carboxylic acid;N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-1H-indole-5-carboxamide;piperazin-1-yl-[2-(trifluoromethyl)phenyl]methanone;dihydrochloride
CID 158264635
ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-[methyl-[2-(tritylamino)ethyl]carbamoyl]-1H-indole-2-carboxylate;N'-methyl-N,N'-ditritylethane-1,2-diamine;N-methyl-N-[2-(tritylamino)ethyl]-1H-indole-5-carboxamide;N-methyl-N'-tritylethane-1,2-diamine;N'-methyl-N'-tritylethane-1,2-diamine
CID 91150394
2-[bis[3-(1H-indol-3-yl)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]pyridine-4-carboxylic acid
CID 141562707
6-[bis[3-(1H-indol-3-yl)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]pyridine-3-carboxylic acid
CID 141562712
lithium;sodium;(2S)-2-aminochloranuidyl-N-methoxy-N-methylpent-4-enamide;hydride;methane;N-[(2S)-1-[methoxy(methyl)amino]-1-oxopent-4-en-2-yl]-1-(2-prop-2-enoxyethyl)indole-7-carboxamide;(4S)-N-methoxy-N-methyl-2-oxo-9-oxa-3,12-diazatricyclo[10.6.1.015,19]nonadeca-1(18),6,13,15(19),16-pentaene-4-carboxamide;(4S)-N-methoxy-N-methyl-2-oxo-9-oxa-3,12-diazatricyclo[10.6.1.015,19]nonadeca-1(18),13,15(19),16-tetraene-4-carboxamide;methyl 1H-indole-7-carboxylate;methyl 1-(2-prop-2-enoxyethyl)indole-7-carboxylate;molecular hydrogen;(4S)-2-oxo-9-oxa-3,12-diazatricyclo[10.6.1.015,19]nonadeca-1(18),6,13,15(19),16-pentaene-4-carbaldehyde;(4S)-2-oxo-9-oxa-3,12-diazatricyclo[10.6.1.015,19]nonadeca-1(18),13,15(19),16-tetraene-4-carbaldehyde;2-prop-2-enoxyethanol;1-(2-prop-2-enoxyethyl)indole-7-carboxylic acid;1-prop-2-enoxypropane;hydroxide
CID 157117045
(2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid;ethyl (2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylate;ethyl (2R,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-5-ylium-2-carboxylate;ethyl (2S,3aS,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate;ethyl 2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylate;ethyl 1H-indole-2-carboxylate;hydrochloride
CID 157168783
1-O-tert-butyl 2-O-ethyl 5-phenylindole-1,2-dicarboxylate;tert-butyl 5-phenylindole-1-carboxylate;ethane;ethyl 5-phenyl-1H-indole-2-carboxylate;1H-indol-5-ylboronic acid;iodobenzene;3-isocyanato-4-phenylbutan-2-one;(5-phenyl-1H-indol-2-yl)methanol;(5-phenyl-1H-indol-2-yl)methyl N-(3-oxo-1-phenylbutan-2-yl)carbamate;3-phenyl-2-[(5-phenyl-1H-indol-2-yl)methoxycarbonylamino]propanoic acid
CID 157350310
CID 157384202
CID 157384202
benzyl 2-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-2-methylpropanoate;benzyl 2-[[(2R)-2-formamido-3-(1H-indol-3-yl)propanoyl]amino]-2-methylpropanoate;2-[[(2R)-2-formamido-3-(1H-indol-3-yl)propanoyl]amino]-2-methylpropanoic acid;methane;oxolane
CID 157396077
ethyl 4-methyl-6,7-dihydro-1H-indole-2-carboxylate;ethyl 4-methylidene-1,5,6,7-tetrahydroindole-2-carboxylate;ethyl 4-methyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate;ethyl 4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate;(4-methylpiperazin-1-yl)-(4-methyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methanone;4-methyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid
CID 157397765
CID 157594753
CID 157594753
methyl 3-formyl-2H-indazole-5-carboxylate;methyl 1H-indole-5-carboxylate;methyl 3-(morpholin-4-ylmethyl)-2H-indazole-5-carboxylate;3-(morpholin-4-ylmethyl)-2H-indazole-5-carbaldehyde;[3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]methanol
CID 157603730

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;chloromethylidene(dimethyl)azanium;1,3-dihydroindol-2-one;ethyl 5-formyl-4-methyl-1H-pyrrole-2-carboxylate;ethyl 4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate;ethyl 4-methyl-1H-pyrrole-2-carboxylate;N-(2-hydroxyethyl)-4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide;(3Z)-3-[[5-(hydroxymethyl)-3-methyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylic acid;(3Z)-3-[[3-methyl-5-(pyridin-1-ium-1-ylmethyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;dichloride?
The IUPAC name of 2-aminoethanol;chloromethylidene(dimethyl)azanium;1,3-dihydroindol-2-one;ethyl 5-formyl-4-methyl-1H-pyrrole-2-carboxylate;ethyl 4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate;ethyl 4-methyl-1H-pyrrole-2-carboxylate;N-(2-hydroxyethyl)-4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide;(3Z)-3-[[5-(hydroxymethyl)-3-methyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylic acid;(3Z)-3-[[3-methyl-5-(pyridin-1-ium-1-ylmethyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;dichloride (CID 159777929) is 2-aminoethanol;chloromethylidene(dimethyl)azanium;1,3-dihydroindol-2-one;ethyl 5-formyl-4-methyl-1H-pyrrole-2-carboxylate;ethyl 4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate;ethyl 4-methyl-1H-pyrrole-2-carboxylate;N-(2-hydroxyethyl)-4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide;(3Z)-3-[[5-(hydroxymethyl)-3-methyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylic acid;(3Z)-3-[[3-methyl-5-(pyridin-1-ium-1-ylmethyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;dichloride.
What is the SMILES notation for 2-aminoethanol;chloromethylidene(dimethyl)azanium;1,3-dihydroindol-2-one;ethyl 5-formyl-4-methyl-1H-pyrrole-2-carboxylate;ethyl 4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate;ethyl 4-methyl-1H-pyrrole-2-carboxylate;N-(2-hydroxyethyl)-4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide;(3Z)-3-[[5-(hydroxymethyl)-3-methyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylic acid;(3Z)-3-[[3-methyl-5-(pyridin-1-ium-1-ylmethyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;dichloride?
The canonical SMILES for 2-aminoethanol;chloromethylidene(dimethyl)azanium;1,3-dihydroindol-2-one;ethyl 5-formyl-4-methyl-1H-pyrrole-2-carboxylate;ethyl 4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate;ethyl 4-methyl-1H-pyrrole-2-carboxylate;N-(2-hydroxyethyl)-4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide;(3Z)-3-[[5-(hydroxymethyl)-3-methyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylic acid;(3Z)-3-[[3-methyl-5-(pyridin-1-ium-1-ylmethyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;dichloride is CCOC(=O)c1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1.CCOC(=O)c1cc(C)c(C=O)[nH]1.CCOC(=O)c1cc(C)c[nH]1.C[N+](C)=CCl.Cc1cc(C(=O)NCCO)[nH]c1/C=C1\C(=O)Nc2ccccc21.Cc1cc(C(=O)O)[nH]c1/C=C1\C(=O)Nc2ccccc21.Cc1cc(CO)[nH]c1/C=C1\C(=O)Nc2ccccc21.Cc1cc(C[n+]2ccccc2)[nH]c1/C=C1\C(=O)Nc2ccccc21.NCCO.O=C1Cc2ccccc2N1.[Cl-].[Cl-].
What is the InChIKey of 2-aminoethanol;chloromethylidene(dimethyl)azanium;1,3-dihydroindol-2-one;ethyl 5-formyl-4-methyl-1H-pyrrole-2-carboxylate;ethyl 4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate;ethyl 4-methyl-1H-pyrrole-2-carboxylate;N-(2-hydroxyethyl)-4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide;(3Z)-3-[[5-(hydroxymethyl)-3-methyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylic acid;(3Z)-3-[[3-methyl-5-(pyridin-1-ium-1-ylmethyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;dichloride?
The InChIKey is AGADEJWQMUDZSF-VRMSXIFISA-M. The full InChI is InChI=1S/C20H17N3O.C17H17N3O3.C17H16N2O3.C15H12N2O3.C15H14N2O2.C9H11NO3.C8H11NO2.C8H7NO.C3H7ClN.C2H7NO.2ClH/c1-14-11-15(13-23-9-5-2-6-10-23)21-19(14)12-17-16-7-3-4-8-18(16)22-20(17)24;1-10-8-15(17(23)18-6-7-21)19-14(10)9-12-11-4-2-3-5-13(11)20-16(12)22;1-3-22-17(21)15-8-10(2)14(18-15)9-12-11-6-4-5-7-13(11)19-16(12)20;1-8-6-13(15(19)20)16-12(8)7-10-9-4-2-3-5-11(9)17-14(10)18;1-9-6-10(8-18)16-14(9)7-12-11-4-2-3-5-13(11)17-15(12)19;1-3-13-9(12)7-4-6(2)8(5-11)10-7;1-3-11-8(10)7-4-6(2)5-9-7;10-8-5-6-3-1-2-4-7(6)9-8;1-5(2)3-4;3-1-2-4;;/h2-12H,13H2,1H3,(H-,21,22,24);2-5,8-9,19,21H,6-7H2,1H3,(H,18,23)(H,20,22);4-9,18H,3H2,1-2H3,(H,19,20);2-7,16H,1H3,(H,17,18)(H,19,20);2-7,16,18H,8H2,1H3,(H,17,19);4-5,10H,3H2,1-2H3;4-5,9H,3H2,1-2H3;1-4H,5H2,(H,9,10);3H,1-2H3;4H,1-3H2;2*1H/q;;;;;;;;+1;;;/p-1/b;2*12-9-;10-7-;12-7-;;;;;;;.
What are the key properties of 2-aminoethanol;chloromethylidene(dimethyl)azanium;1,3-dihydroindol-2-one;ethyl 5-formyl-4-methyl-1H-pyrrole-2-carboxylate;ethyl 4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate;ethyl 4-methyl-1H-pyrrole-2-carboxylate;N-(2-hydroxyethyl)-4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide;(3Z)-3-[[5-(hydroxymethyl)-3-methyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylic acid;(3Z)-3-[[3-methyl-5-(pyridin-1-ium-1-ylmethyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;dichloride?
2-aminoethanol;chloromethylidene(dimethyl)azanium;1,3-dihydroindol-2-one;ethyl 5-formyl-4-methyl-1H-pyrrole-2-carboxylate;ethyl 4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate;ethyl 4-methyl-1H-pyrrole-2-carboxylate;N-(2-hydroxyethyl)-4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide;(3Z)-3-[[5-(hydroxymethyl)-3-methyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylic acid;(3Z)-3-[[3-methyl-5-(pyridin-1-ium-1-ylmethyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;dichloride has a molecular weight of 2138.67 g/mol, XLogP of 9.97, 20 rotatable bonds, 19 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;chloromethylidene(dimethyl)azanium;1,3-dihydroindol-2-one;ethyl 5-formyl-4-methyl-1H-pyrrole-2-carboxylate;ethyl 4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate;ethyl 4-methyl-1H-pyrrole-2-carboxylate;N-(2-hydroxyethyl)-4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxamide;(3Z)-3-[[5-(hydroxymethyl)-3-methyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylic acid;(3Z)-3-[[3-methyl-5-(pyridin-1-ium-1-ylmethyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one;dichloride is sourced from PubChem (CID 159777929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).