dipotassium;2-(3-acetyl-6-hydroxyindol-1-yl)acetic acid;tert-butyl 2-(3-acetyl-6-hydroxyindol-1-yl)acetate;tert-butyl 2-(3-acetyl-6-methylindol-1-yl)acetate;tert-butyl 2-bromoacetate;hydride;6-methyl-1H-indole;1-(6-methyl-1H-indol-3-yl)ethanone;oxido formate

C72H84BrK2N5O17 — CID 160694136

About dipotassium;2-(3-acetyl-6-hydroxyindol-1-yl)acetic acid;tert-butyl 2-(3-acetyl-6-hydroxyindol-1-yl)acetate;tert-butyl 2-(3-acetyl-6-methylindol-1-yl)acetate;tert-butyl 2-bromoacetate;hydride;6-methyl-1H-indole;1-(6-methyl-1H-indol-3-yl)ethanone;oxido formate

dipotassium;2-(3-acetyl-6-hydroxyindol-1-yl)acetic acid;tert-butyl 2-(3-acetyl-6-hydroxyindol-1-yl)acetate;tert-butyl 2-(3-acetyl-6-methylindol-1-yl)acetate;tert-butyl 2-bromoacetate;hydride;6-methyl-1H-indole;1-(6-methyl-1H-indol-3-yl)ethanone;oxido formate (PubChem CID 160694136) has the molecular formula C72H84BrK2N5O17 and a molecular weight of 1449.58 g/mol. Its IUPAC name is dipotassium;2-(3-acetyl-6-hydroxyindol-1-yl)acetic acid;tert-butyl 2-(3-acetyl-6-hydroxyindol-1-yl)acetate;tert-butyl 2-(3-acetyl-6-methylindol-1-yl)acetate;tert-butyl 2-bromoacetate;hydride;6-methyl-1H-indole;1-(6-methyl-1H-indol-3-yl)ethanone;oxido formate.

Molecular Properties

• Compound Name: dipotassium;2-(3-acetyl-6-hydroxyindol-1-yl)acetic acid;tert-butyl 2-(3-acetyl-6-hydroxyindol-1-yl)acetate;tert-butyl 2-(3-acetyl-6-methylindol-1-yl)acetate;tert-butyl 2-bromoacetate;hydride;6-methyl-1H-indole;1-(6-methyl-1H-indol-3-yl)ethanone;oxido formate
• PubChem CID: 160694136
• Molecular Formula: C72H84BrK2N5O17
• Molecular Weight: 1449.58 g/mol
• Exact Mass: 1447.43
• IUPAC Name: dipotassium;2-(3-acetyl-6-hydroxyindol-1-yl)acetic acid;tert-butyl 2-(3-acetyl-6-hydroxyindol-1-yl)acetate;tert-butyl 2-(3-acetyl-6-methylindol-1-yl)acetate;tert-butyl 2-bromoacetate;hydride;6-methyl-1H-indole;1-(6-methyl-1H-indol-3-yl)ethanone;oxido formate
• SMILES: CC(=O)c1c[nH]c2cc(C)ccc12.CC(=O)c1cn(CC(=O)O)c2cc(O)ccc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2cc(C)ccc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2cc(O)ccc12.CC(C)(C)OC(=O)CBr.Cc1ccc2cc[nH]c2c1.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C17H21NO3.C16H19NO4.C12H11NO4.C11H11NO.C9H9N.C6H11BrO2.CH2O3.2K.H/c1-11-6-7-13-14(12(2)19)9-18(15(13)8-11)10-16(20)21-17(3,4)5;1-10(18)13-8-17(9-15(20)21-16(2,3)4)14-7-11(19)5-6-12(13)14;1-7(14)10-5-13(6-12(16)17)11-4-8(15)2-3-9(10)11;1-7-3-4-9-10(8(2)13)6-12-11(9)5-7;1-7-2-3-8-4-5-10-9(8)6-7;1-6(2,3)9-5(8)4-7;2-1-4-3;;;/h6-9H,10H2,1-5H3;5-8,19H,9H2,1-4H3;2-5,15H,6H2,1H3,(H,16,17);3-6,12H,1-2H3;2-6,10H,1H3;4H2,1-3H3;1,3H;;;/q;;;;;;;2*+1;-1/p-1
• InChIKey: ZEHQWXDXLNJWAK-UHFFFAOYSA-M
• XLogP: 7.45
• TPSA: 320.67 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1449.58
LogP ≤ 5	7.45
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-(3-acetyl-6-hydroxyindol-1-yl)acetic acid;tert-butyl 2-(3-acetyl-6-hydroxyindol-1-yl)acetate;tert-butyl 2-(3-acetyl-6-methylindol-1-yl)acetate;tert-butyl 2-bromoacetate;hydride;6-methyl-1H-indole;1-(6-methyl-1H-indol-3-yl)ethanone;oxido formate?

The IUPAC name of dipotassium;2-(3-acetyl-6-hydroxyindol-1-yl)acetic acid;tert-butyl 2-(3-acetyl-6-hydroxyindol-1-yl)acetate;tert-butyl 2-(3-acetyl-6-methylindol-1-yl)acetate;tert-butyl 2-bromoacetate;hydride;6-methyl-1H-indole;1-(6-methyl-1H-indol-3-yl)ethanone;oxido formate (CID 160694136) is dipotassium;2-(3-acetyl-6-hydroxyindol-1-yl)acetic acid;tert-butyl 2-(3-acetyl-6-hydroxyindol-1-yl)acetate;tert-butyl 2-(3-acetyl-6-methylindol-1-yl)acetate;tert-butyl 2-bromoacetate;hydride;6-methyl-1H-indole;1-(6-methyl-1H-indol-3-yl)ethanone;oxido formate.

What is the SMILES notation for dipotassium;2-(3-acetyl-6-hydroxyindol-1-yl)acetic acid;tert-butyl 2-(3-acetyl-6-hydroxyindol-1-yl)acetate;tert-butyl 2-(3-acetyl-6-methylindol-1-yl)acetate;tert-butyl 2-bromoacetate;hydride;6-methyl-1H-indole;1-(6-methyl-1H-indol-3-yl)ethanone;oxido formate?

The canonical SMILES for dipotassium;2-(3-acetyl-6-hydroxyindol-1-yl)acetic acid;tert-butyl 2-(3-acetyl-6-hydroxyindol-1-yl)acetate;tert-butyl 2-(3-acetyl-6-methylindol-1-yl)acetate;tert-butyl 2-bromoacetate;hydride;6-methyl-1H-indole;1-(6-methyl-1H-indol-3-yl)ethanone;oxido formate is CC(=O)c1c[nH]c2cc(C)ccc12.CC(=O)c1cn(CC(=O)O)c2cc(O)ccc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2cc(C)ccc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2cc(O)ccc12.CC(C)(C)OC(=O)CBr.Cc1ccc2cc[nH]c2c1.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;2-(3-acetyl-6-hydroxyindol-1-yl)acetic acid;tert-butyl 2-(3-acetyl-6-hydroxyindol-1-yl)acetate;tert-butyl 2-(3-acetyl-6-methylindol-1-yl)acetate;tert-butyl 2-bromoacetate;hydride;6-methyl-1H-indole;1-(6-methyl-1H-indol-3-yl)ethanone;oxido formate?

The InChIKey is ZEHQWXDXLNJWAK-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H21NO3.C16H19NO4.C12H11NO4.C11H11NO.C9H9N.C6H11BrO2.CH2O3.2K.H/c1-11-6-7-13-14(12(2)19)9-18(15(13)8-11)10-16(20)21-17(3,4)5;1-10(18)13-8-17(9-15(20)21-16(2,3)4)14-7-11(19)5-6-12(13)14;1-7(14)10-5-13(6-12(16)17)11-4-8(15)2-3-9(10)11;1-7-3-4-9-10(8(2)13)6-12-11(9)5-7;1-7-2-3-8-4-5-10-9(8)6-7;1-6(2,3)9-5(8)4-7;2-1-4-3;;;/h6-9H,10H2,1-5H3;5-8,19H,9H2,1-4H3;2-5,15H,6H2,1H3,(H,16,17);3-6,12H,1-2H3;2-6,10H,1H3;4H2,1-3H3;1,3H;;;/q;;;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;2-(3-acetyl-6-hydroxyindol-1-yl)acetic acid;tert-butyl 2-(3-acetyl-6-hydroxyindol-1-yl)acetate;tert-butyl 2-(3-acetyl-6-methylindol-1-yl)acetate;tert-butyl 2-bromoacetate;hydride;6-methyl-1H-indole;1-(6-methyl-1H-indol-3-yl)ethanone;oxido formate?

dipotassium;2-(3-acetyl-6-hydroxyindol-1-yl)acetic acid;tert-butyl 2-(3-acetyl-6-hydroxyindol-1-yl)acetate;tert-butyl 2-(3-acetyl-6-methylindol-1-yl)acetate;tert-butyl 2-bromoacetate;hydride;6-methyl-1H-indole;1-(6-methyl-1H-indol-3-yl)ethanone;oxido formate has a molecular weight of 1449.58 g/mol, XLogP of 7.45, 12 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;2-(3-acetyl-6-hydroxyindol-1-yl)acetic acid;tert-butyl 2-(3-acetyl-6-hydroxyindol-1-yl)acetate;tert-butyl 2-(3-acetyl-6-methylindol-1-yl)acetate;tert-butyl 2-bromoacetate;hydride;6-methyl-1H-indole;1-(6-methyl-1H-indol-3-yl)ethanone;oxido formate is sourced from PubChem (CID 160694136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).