lithium;(E)-1-(2-amino-5-thiophen-2-ylphenyl)-5-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]pent-3-en-2-one;1,3-benzodioxole-5-carbaldehyde;1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ol;1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-one;(E)-4-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]but-2-enoic acid;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[(E)-5-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]-2-oxopent-3-enyl]-4-thiophen-2-ylphenyl]carbamate;ethyl (E)-4-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]but-2-enoate;ethyl (E)-4-diethoxyphosphorylbut-2-enoate;pyrrolidin-3-ol;hydroxide

C154H179LiN11O34PS3 — CID 161266213

IUPAClithium;(E)-1-(2-amino-5-thiophen-2-ylphenyl)-5-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]pent-3-en-2-one;1,3-benzodioxole-5-carbaldehyde;1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ol;1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-one;(E)-4-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]but-2-enoic acid;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[(E)-5-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]-2-oxopent-3-enyl]-4-thiophen-2-ylphenyl]carbamate;ethyl (E)-4-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]but-2-enoate;ethyl (E)-4-diethoxyphosphorylbut-2-enoate;pyrrolidin-3-ol;hydroxide
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1CC(=O)/C=C/C=C1CCN(Cc2ccc3c(c2)OCO3)C1.CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1N.CCOC(=O)/C=C/C=C1CCN(Cc2ccc3c(c2)OCO3)C1.CCOC(=O)/C=C/CP(=O)(OCC)OCC.Nc1ccc(-c2cccs2)cc1CC(=O)/C=C/C=C1CCN(Cc2ccc3c(c2)OCO3)C1.O=C(O)/C=C/C=C1CCN(Cc2ccc3c(c2)OCO3)C1.O=C1CCN(Cc2ccc3c(c2)OCO3)C1.O=Cc1ccc2c(c1)OCO2.OC1CCN(Cc2ccc3c(c2)OCO3)C1.OC1CCNC1.[Li+].[OH-]
InChIInChI=1S/C32H34N2O5S.C27H26N2O3S.C18H21NO4.C16H17NO4.C15H18N2O2S.C12H15NO3.C12H13NO3.C10H19O5P.C8H6O3.C4H9NO.Li.H2O/c1-32(2,3)39-31(36)33-27-11-10-24(30-8-5-15-40-30)17-25(27)18-26(35)7-4-6-22-13-14-34(19-22)20-23-9-12-28-29(16-23)38-21-37-28;28-24-8-7-21(27-5-2-12-33-27)14-22(24)15-23(30)4-1-3-19-10-11-29(16-19)17-20-6-9-25-26(13-20)32-18-31-25;1-2-21-18(20)5-3-4-14-8-9-19(11-14)12-15-6-7-16-17(10-15)23-13-22-16;18-16(19)3-1-2-12-6-7-17(9-12)10-13-4-5-14-15(8-13)21-11-20-14;1-15(2,3)19-14(18)17-12-7-6-10(9-11(12)16)13-5-4-8-20-13;2*14-10-3-4-13(7-10)6-9-1-2-11-12(5-9)16-8-15-11;1-4-13-10(11)8-7-9-16(12,14-5-2)15-6-3;9-4-6-1-2-7-8(3-6)11-5-10-7;6-4-1-2-5-3-4;;/h4-12,15-17H,13-14,18-21H2,1-3H3,(H,33,36);1-9,12-14H,10-11,15-18,28H2;3-7,10H,2,8-9,11-13H2,1H3;1-5,8H,6-7,9-11H2,(H,18,19);4-9H,16H2,1-3H3,(H,17,18);1-2,5,10,14H,3-4,6-8H2;1-2,5H,3-4,6-8H2;7-8H,4-6,9H2,1-3H3;1-4H,5H2;4-6H,1-3H2;;1H2/q;;;;;;;;;;+1;/p-1/b7-4+,22-6?;4-1+,19-3?;5-3+,14-4?;3-1+,12-2?;;;;8-7+;;;;
InChIKeyVDFIPXALRPBKHZ-RREIQULKSA-M
MW2862.28 g/mol
LogP23.36
Rot. Bonds39

About lithium;(E)-1-(2-amino-5-thiophen-2-ylphenyl)-5-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]pent-3-en-2-one;1,3-benzodioxole-5-carbaldehyde;1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ol;1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-one;(E)-4-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]but-2-enoic acid;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[(E)-5-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]-2-oxopent-3-enyl]-4-thiophen-2-ylphenyl]carbamate;ethyl (E)-4-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]but-2-enoate;ethyl (E)-4-diethoxyphosphorylbut-2-enoate;pyrrolidin-3-ol;hydroxide

lithium;(E)-1-(2-amino-5-thiophen-2-ylphenyl)-5-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]pent-3-en-2-one;1,3-benzodioxole-5-carbaldehyde;1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ol;1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-one;(E)-4-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]but-2-enoic acid;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[(E)-5-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]-2-oxopent-3-enyl]-4-thiophen-2-ylphenyl]carbamate;ethyl (E)-4-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]but-2-enoate;ethyl (E)-4-diethoxyphosphorylbut-2-enoate;pyrrolidin-3-ol;hydroxide (PubChem CID 161266213) has the molecular formula C154H179LiN11O34PS3 and a molecular weight of 2862.28 g/mol. Its IUPAC name is lithium;(E)-1-(2-amino-5-thiophen-2-ylphenyl)-5-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]pent-3-en-2-one;1,3-benzodioxole-5-carbaldehyde;1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ol;1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-one;(E)-4-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]but-2-enoic acid;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[(E)-5-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]-2-oxopent-3-enyl]-4-thiophen-2-ylphenyl]carbamate;ethyl (E)-4-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]but-2-enoate;ethyl (E)-4-diethoxyphosphorylbut-2-enoate;pyrrolidin-3-ol;hydroxide.

Molecular Properties

Compound Namelithium;(E)-1-(2-amino-5-thiophen-2-ylphenyl)-5-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]pent-3-en-2-one;1,3-benzodioxole-5-carbaldehyde;1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ol;1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-one;(E)-4-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]but-2-enoic acid;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[(E)-5-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]-2-oxopent-3-enyl]-4-thiophen-2-ylphenyl]carbamate;ethyl (E)-4-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]but-2-enoate;ethyl (E)-4-diethoxyphosphorylbut-2-enoate;pyrrolidin-3-ol;hydroxide
PubChem CID161266213
Molecular FormulaC154H179LiN11O34PS3
Molecular Weight2862.28 g/mol
Exact Mass2860.17
IUPAC Namelithium;(E)-1-(2-amino-5-thiophen-2-ylphenyl)-5-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]pent-3-en-2-one;1,3-benzodioxole-5-carbaldehyde;1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ol;1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-one;(E)-4-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]but-2-enoic acid;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[(E)-5-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]-2-oxopent-3-enyl]-4-thiophen-2-ylphenyl]carbamate;ethyl (E)-4-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]but-2-enoate;ethyl (E)-4-diethoxyphosphorylbut-2-enoate;pyrrolidin-3-ol;hydroxide
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1CC(=O)/C=C/C=C1CCN(Cc2ccc3c(c2)OCO3)C1.CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1N.CCOC(=O)/C=C/C=C1CCN(Cc2ccc3c(c2)OCO3)C1.CCOC(=O)/C=C/CP(=O)(OCC)OCC.Nc1ccc(-c2cccs2)cc1CC(=O)/C=C/C=C1CCN(Cc2ccc3c(c2)OCO3)C1.O=C(O)/C=C/C=C1CCN(Cc2ccc3c(c2)OCO3)C1.O=C1CCN(Cc2ccc3c(c2)OCO3)C1.O=Cc1ccc2c(c1)OCO2.OC1CCN(Cc2ccc3c(c2)OCO3)C1.OC1CCNC1.[Li+].[OH-]
InChIInChI=1S/C32H34N2O5S.C27H26N2O3S.C18H21NO4.C16H17NO4.C15H18N2O2S.C12H15NO3.C12H13NO3.C10H19O5P.C8H6O3.C4H9NO.Li.H2O/c1-32(2,3)39-31(36)33-27-11-10-24(30-8-5-15-40-30)17-25(27)18-26(35)7-4-6-22-13-14-34(19-22)20-23-9-12-28-29(16-23)38-21-37-28;28-24-8-7-21(27-5-2-12-33-27)14-22(24)15-23(30)4-1-3-19-10-11-29(16-19)17-20-6-9-25-26(13-20)32-18-31-25;1-2-21-18(20)5-3-4-14-8-9-19(11-14)12-15-6-7-16-17(10-15)23-13-22-16;18-16(19)3-1-2-12-6-7-17(9-12)10-13-4-5-14-15(8-13)21-11-20-14;1-15(2,3)19-14(18)17-12-7-6-10(9-11(12)16)13-5-4-8-20-13;2*14-10-3-4-13(7-10)6-9-1-2-11-12(5-9)16-8-15-11;1-4-13-10(11)8-7-9-16(12,14-5-2)15-6-3;9-4-6-1-2-7-8(3-6)11-5-10-7;6-4-1-2-5-3-4;;/h4-12,15-17H,13-14,18-21H2,1-3H3,(H,33,36);1-9,12-14H,10-11,15-18,28H2;3-7,10H,2,8-9,11-13H2,1H3;1-5,8H,6-7,9-11H2,(H,18,19);4-9H,16H2,1-3H3,(H,17,18);1-2,5,10,14H,3-4,6-8H2;1-2,5H,3-4,6-8H2;7-8H,4-6,9H2,1-3H3;1-4H,5H2;4-6H,1-3H2;;1H2/q;;;;;;;;;;+1;/p-1/b7-4+,22-6?;4-1+,19-3?;5-3+,14-4?;3-1+,12-2?;;;;8-7+;;;;
InChIKeyVDFIPXALRPBKHZ-RREIQULKSA-M
XLogP23.36
TPSA553.56 Ų
H-Bond Donors8
H-Bond Acceptors45
Rotatable Bonds39
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002862.28
LogP ≤ 523.36
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

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

Analyze lithium;(E)-1-(2-amino-5-thiophen-2-ylphenyl)-5-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]pent-3-en-2-one;1,3-benzodioxole-5-carbaldehyde;1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ol;1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-one;(E)-4-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]but-2-enoic acid;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[(E)-5-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]-2-oxopent-3-enyl]-4-thiophen-2-ylphenyl]carbamate;ethyl (E)-4-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]but-2-enoate;ethyl (E)-4-diethoxyphosphorylbut-2-enoate;pyrrolidin-3-ol;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;(E)-1-(2-amino-5-thiophen-2-ylphenyl)-5-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]pent-3-en-2-one;1,3-benzodioxole-5-carbaldehyde;1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ol;1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-one;(E)-4-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]but-2-enoic acid;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[(E)-5-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]-2-oxopent-3-enyl]-4-thiophen-2-ylphenyl]carbamate;ethyl (E)-4-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]but-2-enoate;ethyl (E)-4-diethoxyphosphorylbut-2-enoate;pyrrolidin-3-ol;hydroxide?
The IUPAC name of lithium;(E)-1-(2-amino-5-thiophen-2-ylphenyl)-5-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]pent-3-en-2-one;1,3-benzodioxole-5-carbaldehyde;1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ol;1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-one;(E)-4-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]but-2-enoic acid;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[(E)-5-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]-2-oxopent-3-enyl]-4-thiophen-2-ylphenyl]carbamate;ethyl (E)-4-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]but-2-enoate;ethyl (E)-4-diethoxyphosphorylbut-2-enoate;pyrrolidin-3-ol;hydroxide (CID 161266213) is lithium;(E)-1-(2-amino-5-thiophen-2-ylphenyl)-5-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]pent-3-en-2-one;1,3-benzodioxole-5-carbaldehyde;1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ol;1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-one;(E)-4-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]but-2-enoic acid;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[(E)-5-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]-2-oxopent-3-enyl]-4-thiophen-2-ylphenyl]carbamate;ethyl (E)-4-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]but-2-enoate;ethyl (E)-4-diethoxyphosphorylbut-2-enoate;pyrrolidin-3-ol;hydroxide.
What is the SMILES notation for lithium;(E)-1-(2-amino-5-thiophen-2-ylphenyl)-5-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]pent-3-en-2-one;1,3-benzodioxole-5-carbaldehyde;1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ol;1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-one;(E)-4-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]but-2-enoic acid;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[(E)-5-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]-2-oxopent-3-enyl]-4-thiophen-2-ylphenyl]carbamate;ethyl (E)-4-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]but-2-enoate;ethyl (E)-4-diethoxyphosphorylbut-2-enoate;pyrrolidin-3-ol;hydroxide?
The canonical SMILES for lithium;(E)-1-(2-amino-5-thiophen-2-ylphenyl)-5-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]pent-3-en-2-one;1,3-benzodioxole-5-carbaldehyde;1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ol;1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-one;(E)-4-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]but-2-enoic acid;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[(E)-5-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]-2-oxopent-3-enyl]-4-thiophen-2-ylphenyl]carbamate;ethyl (E)-4-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]but-2-enoate;ethyl (E)-4-diethoxyphosphorylbut-2-enoate;pyrrolidin-3-ol;hydroxide is CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1CC(=O)/C=C/C=C1CCN(Cc2ccc3c(c2)OCO3)C1.CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1N.CCOC(=O)/C=C/C=C1CCN(Cc2ccc3c(c2)OCO3)C1.CCOC(=O)/C=C/CP(=O)(OCC)OCC.Nc1ccc(-c2cccs2)cc1CC(=O)/C=C/C=C1CCN(Cc2ccc3c(c2)OCO3)C1.O=C(O)/C=C/C=C1CCN(Cc2ccc3c(c2)OCO3)C1.O=C1CCN(Cc2ccc3c(c2)OCO3)C1.O=Cc1ccc2c(c1)OCO2.OC1CCN(Cc2ccc3c(c2)OCO3)C1.OC1CCNC1.[Li+].[OH-].
What is the InChIKey of lithium;(E)-1-(2-amino-5-thiophen-2-ylphenyl)-5-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]pent-3-en-2-one;1,3-benzodioxole-5-carbaldehyde;1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ol;1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-one;(E)-4-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]but-2-enoic acid;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[(E)-5-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]-2-oxopent-3-enyl]-4-thiophen-2-ylphenyl]carbamate;ethyl (E)-4-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]but-2-enoate;ethyl (E)-4-diethoxyphosphorylbut-2-enoate;pyrrolidin-3-ol;hydroxide?
The InChIKey is VDFIPXALRPBKHZ-RREIQULKSA-M. The full InChI is InChI=1S/C32H34N2O5S.C27H26N2O3S.C18H21NO4.C16H17NO4.C15H18N2O2S.C12H15NO3.C12H13NO3.C10H19O5P.C8H6O3.C4H9NO.Li.H2O/c1-32(2,3)39-31(36)33-27-11-10-24(30-8-5-15-40-30)17-25(27)18-26(35)7-4-6-22-13-14-34(19-22)20-23-9-12-28-29(16-23)38-21-37-28;28-24-8-7-21(27-5-2-12-33-27)14-22(24)15-23(30)4-1-3-19-10-11-29(16-19)17-20-6-9-25-26(13-20)32-18-31-25;1-2-21-18(20)5-3-4-14-8-9-19(11-14)12-15-6-7-16-17(10-15)23-13-22-16;18-16(19)3-1-2-12-6-7-17(9-12)10-13-4-5-14-15(8-13)21-11-20-14;1-15(2,3)19-14(18)17-12-7-6-10(9-11(12)16)13-5-4-8-20-13;2*14-10-3-4-13(7-10)6-9-1-2-11-12(5-9)16-8-15-11;1-4-13-10(11)8-7-9-16(12,14-5-2)15-6-3;9-4-6-1-2-7-8(3-6)11-5-10-7;6-4-1-2-5-3-4;;/h4-12,15-17H,13-14,18-21H2,1-3H3,(H,33,36);1-9,12-14H,10-11,15-18,28H2;3-7,10H,2,8-9,11-13H2,1H3;1-5,8H,6-7,9-11H2,(H,18,19);4-9H,16H2,1-3H3,(H,17,18);1-2,5,10,14H,3-4,6-8H2;1-2,5H,3-4,6-8H2;7-8H,4-6,9H2,1-3H3;1-4H,5H2;4-6H,1-3H2;;1H2/q;;;;;;;;;;+1;/p-1/b7-4+,22-6?;4-1+,19-3?;5-3+,14-4?;3-1+,12-2?;;;;8-7+;;;;.
What are the key properties of lithium;(E)-1-(2-amino-5-thiophen-2-ylphenyl)-5-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]pent-3-en-2-one;1,3-benzodioxole-5-carbaldehyde;1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ol;1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-one;(E)-4-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]but-2-enoic acid;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[(E)-5-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]-2-oxopent-3-enyl]-4-thiophen-2-ylphenyl]carbamate;ethyl (E)-4-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]but-2-enoate;ethyl (E)-4-diethoxyphosphorylbut-2-enoate;pyrrolidin-3-ol;hydroxide?
lithium;(E)-1-(2-amino-5-thiophen-2-ylphenyl)-5-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]pent-3-en-2-one;1,3-benzodioxole-5-carbaldehyde;1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ol;1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-one;(E)-4-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]but-2-enoic acid;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[(E)-5-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]-2-oxopent-3-enyl]-4-thiophen-2-ylphenyl]carbamate;ethyl (E)-4-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]but-2-enoate;ethyl (E)-4-diethoxyphosphorylbut-2-enoate;pyrrolidin-3-ol;hydroxide has a molecular weight of 2862.28 g/mol, XLogP of 23.36, 39 rotatable bonds, 8 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(E)-1-(2-amino-5-thiophen-2-ylphenyl)-5-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]pent-3-en-2-one;1,3-benzodioxole-5-carbaldehyde;1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ol;1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-one;(E)-4-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]but-2-enoic acid;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[(E)-5-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]-2-oxopent-3-enyl]-4-thiophen-2-ylphenyl]carbamate;ethyl (E)-4-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-ylidene]but-2-enoate;ethyl (E)-4-diethoxyphosphorylbut-2-enoate;pyrrolidin-3-ol;hydroxide is sourced from PubChem (CID 161266213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).