lithium;[3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(3S)-3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[3-benzyl-3-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;1-[hydroxy(methyl)boranyl]pyrrolidine-3-carboxylic acid;[3-[methoxy(methyl)carbamoyl]pyrrolidin-1-yl]-methylborinic acid;2-methylpropane;methyl-[3-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]borinic acid

C130H190B6BrLiN12O14Si3 — CID 159030404

About lithium;[3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(3S)-3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[3-benzyl-3-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;1-[hydroxy(methyl)boranyl]pyrrolidine-3-carboxylic acid;[3-[methoxy(methyl)carbamoyl]pyrrolidin-1-yl]-methylborinic acid;2-methylpropane;methyl-[3-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]borinic acid

lithium;[3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(3S)-3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[3-benzyl-3-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;1-[hydroxy(methyl)boranyl]pyrrolidine-3-carboxylic acid;[3-[methoxy(methyl)carbamoyl]pyrrolidin-1-yl]-methylborinic acid;2-methylpropane;methyl-[3-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]borinic acid (PubChem CID 159030404) has the molecular formula C130H190B6BrLiN12O14Si3 and a molecular weight of 2380.99 g/mol. Its IUPAC name is lithium;[3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(3S)-3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[3-benzyl-3-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;1-[hydroxy(methyl)boranyl]pyrrolidine-3-carboxylic acid;[3-[methoxy(methyl)carbamoyl]pyrrolidin-1-yl]-methylborinic acid;2-methylpropane;methyl-[3-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]borinic acid.

Molecular Properties

• Compound Name: lithium;[3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(3S)-3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[3-benzyl-3-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;1-[hydroxy(methyl)boranyl]pyrrolidine-3-carboxylic acid;[3-[methoxy(methyl)carbamoyl]pyrrolidin-1-yl]-methylborinic acid;2-methylpropane;methyl-[3-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]borinic acid
• PubChem CID: 159030404
• Molecular Formula: C130H190B6BrLiN12O14Si3
• Molecular Weight: 2380.99 g/mol
• Exact Mass: 2379.37
• IUPAC Name: lithium;[3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(3S)-3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[3-benzyl-3-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;1-[hydroxy(methyl)boranyl]pyrrolidine-3-carboxylic acid;[3-[methoxy(methyl)carbamoyl]pyrrolidin-1-yl]-methylborinic acid;2-methylpropane;methyl-[3-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]borinic acid
• SMILES: CB(O)N1CCC(C(=O)O)C1.CB(O)N1CCC(C(=O)c2ccc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2)C1.CB(O)N1CCC(Cc2ccccc2)(C(=O)c2ccc3[nH]ccc3c2)C1.CB(O)N1CCC(Cc2ccccc2)(C(=O)c2ccc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2)C1.CB(O)N1CC[C@](Cc2ccccc2)(C(=O)c2ccc3[nH]ccc3c2)C1.CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Br)ccc21.CON(C)C(=O)C1CCN(B(C)O)C1.C[C-](C)C.[Li+]
• InChI: InChI=1S/C30H43BN2O2Si.C23H37BN2O2Si.2C21H23BN2O2.C17H26BrNSi.C8H17BN2O3.C6H12BNO3.C4H9.Li/c1-22(2)36(23(3)4,24(5)6)33-17-15-26-19-27(13-14-28(26)33)29(34)30(16-18-32(21-30)31(7)35)20-25-11-9-8-10-12-25;1-16(2)29(17(3)4,18(5)6)26-13-11-19-14-20(8-9-22(19)26)23(27)21-10-12-25(15-21)24(7)28;2*1-22(26)24-12-10-21(15-24,14-16-5-3-2-4-6-16)20(25)18-7-8-19-17(13-18)9-11-23-19;1-12(2)20(13(3)4,14(5)6)19-10-9-15-11-16(18)7-8-17(15)19;1-9(13)11-5-4-7(6-11)8(12)10(2)14-3;1-7(11)8-3-2-5(4-8)6(9)10;1-4(2)3;/h8-15,17,19,22-24,35H,16,18,20-21H2,1-7H3;8-9,11,13-14,16-18,21,28H,10,12,15H2,1-7H3;2*2-9,11,13,23,26H,10,12,14-15H2,1H3;7-14H,1-6H3;7,13H,4-6H2,1-3H3;5,11H,2-4H2,1H3,(H,9,10);1-3H3;/q;;;;;;;-1;+1/t;;21-;;;;;;/m..1....../s1
• InChIKey: HXLUEKZWAGOAFU-KNNHXCDKSA-N
• XLogP: 22.96
• TPSA: 322.31 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 22
• Rotatable Bonds: 35
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2380.99
LogP ≤ 5	22.96
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;[3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(3S)-3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[3-benzyl-3-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;1-[hydroxy(methyl)boranyl]pyrrolidine-3-carboxylic acid;[3-[methoxy(methyl)carbamoyl]pyrrolidin-1-yl]-methylborinic acid;2-methylpropane;methyl-[3-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]borinic acid?

The IUPAC name of lithium;[3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(3S)-3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[3-benzyl-3-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;1-[hydroxy(methyl)boranyl]pyrrolidine-3-carboxylic acid;[3-[methoxy(methyl)carbamoyl]pyrrolidin-1-yl]-methylborinic acid;2-methylpropane;methyl-[3-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]borinic acid (CID 159030404) is lithium;[3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(3S)-3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[3-benzyl-3-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;1-[hydroxy(methyl)boranyl]pyrrolidine-3-carboxylic acid;[3-[methoxy(methyl)carbamoyl]pyrrolidin-1-yl]-methylborinic acid;2-methylpropane;methyl-[3-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]borinic acid.

What is the SMILES notation for lithium;[3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(3S)-3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[3-benzyl-3-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;1-[hydroxy(methyl)boranyl]pyrrolidine-3-carboxylic acid;[3-[methoxy(methyl)carbamoyl]pyrrolidin-1-yl]-methylborinic acid;2-methylpropane;methyl-[3-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]borinic acid?

The canonical SMILES for lithium;[3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(3S)-3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[3-benzyl-3-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;1-[hydroxy(methyl)boranyl]pyrrolidine-3-carboxylic acid;[3-[methoxy(methyl)carbamoyl]pyrrolidin-1-yl]-methylborinic acid;2-methylpropane;methyl-[3-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]borinic acid is CB(O)N1CCC(C(=O)O)C1.CB(O)N1CCC(C(=O)c2ccc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2)C1.CB(O)N1CCC(Cc2ccccc2)(C(=O)c2ccc3[nH]ccc3c2)C1.CB(O)N1CCC(Cc2ccccc2)(C(=O)c2ccc3c(ccn3[Si](C(C)C)(C(C)C)C(C)C)c2)C1.CB(O)N1CC[C@](Cc2ccccc2)(C(=O)c2ccc3[nH]ccc3c2)C1.CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Br)ccc21.CON(C)C(=O)C1CCN(B(C)O)C1.C[C-](C)C.[Li+].

What is the InChIKey of lithium;[3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(3S)-3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[3-benzyl-3-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;1-[hydroxy(methyl)boranyl]pyrrolidine-3-carboxylic acid;[3-[methoxy(methyl)carbamoyl]pyrrolidin-1-yl]-methylborinic acid;2-methylpropane;methyl-[3-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]borinic acid?

The InChIKey is HXLUEKZWAGOAFU-KNNHXCDKSA-N. The full InChI is InChI=1S/C30H43BN2O2Si.C23H37BN2O2Si.2C21H23BN2O2.C17H26BrNSi.C8H17BN2O3.C6H12BNO3.C4H9.Li/c1-22(2)36(23(3)4,24(5)6)33-17-15-26-19-27(13-14-28(26)33)29(34)30(16-18-32(21-30)31(7)35)20-25-11-9-8-10-12-25;1-16(2)29(17(3)4,18(5)6)26-13-11-19-14-20(8-9-22(19)26)23(27)21-10-12-25(15-21)24(7)28;2*1-22(26)24-12-10-21(15-24,14-16-5-3-2-4-6-16)20(25)18-7-8-19-17(13-18)9-11-23-19;1-12(2)20(13(3)4,14(5)6)19-10-9-15-11-16(18)7-8-17(15)19;1-9(13)11-5-4-7(6-11)8(12)10(2)14-3;1-7(11)8-3-2-5(4-8)6(9)10;1-4(2)3;/h8-15,17,19,22-24,35H,16,18,20-21H2,1-7H3;8-9,11,13-14,16-18,21,28H,10,12,15H2,1-7H3;2*2-9,11,13,23,26H,10,12,14-15H2,1H3;7-14H,1-6H3;7,13H,4-6H2,1-3H3;5,11H,2-4H2,1H3,(H,9,10);1-3H3;/q;;;;;;;-1;+1/t;;21-;;;;;;/m..1....../s1.

What are the key properties of lithium;[3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(3S)-3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[3-benzyl-3-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;1-[hydroxy(methyl)boranyl]pyrrolidine-3-carboxylic acid;[3-[methoxy(methyl)carbamoyl]pyrrolidin-1-yl]-methylborinic acid;2-methylpropane;methyl-[3-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]borinic acid?

lithium;[3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(3S)-3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[3-benzyl-3-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;1-[hydroxy(methyl)boranyl]pyrrolidine-3-carboxylic acid;[3-[methoxy(methyl)carbamoyl]pyrrolidin-1-yl]-methylborinic acid;2-methylpropane;methyl-[3-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]borinic acid has a molecular weight of 2380.99 g/mol, XLogP of 22.96, 35 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;[3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[(3S)-3-benzyl-3-(1H-indole-5-carbonyl)pyrrolidin-1-yl]-methylborinic acid;[3-benzyl-3-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]-methylborinic acid;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;1-[hydroxy(methyl)boranyl]pyrrolidine-3-carboxylic acid;[3-[methoxy(methyl)carbamoyl]pyrrolidin-1-yl]-methylborinic acid;2-methylpropane;methyl-[3-[1-tri(propan-2-yl)silylindole-5-carbonyl]pyrrolidin-1-yl]borinic acid is sourced from PubChem (CID 159030404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).