(2,5-dioxopyrrolidin-1-yl) 6-[2-[3-(1-ethyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]hexanoate;6-[2-[3-(1-ethyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid;1-ethyl-2,3,3-trimethylindol-1-ium;1-hydroxypyrrolidine-2,5-dione;6-(2,3,3-trimethylindol-1-ium-1-yl)hexanoic acid;triiodide

C100H128I3N8O11+ — CID 160808010

About (2,5-dioxopyrrolidin-1-yl) 6-[2-[3-(1-ethyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]hexanoate;6-[2-[3-(1-ethyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid;1-ethyl-2,3,3-trimethylindol-1-ium;1-hydroxypyrrolidine-2,5-dione;6-(2,3,3-trimethylindol-1-ium-1-yl)hexanoic acid;triiodide

(2,5-dioxopyrrolidin-1-yl) 6-[2-[3-(1-ethyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]hexanoate;6-[2-[3-(1-ethyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid;1-ethyl-2,3,3-trimethylindol-1-ium;1-hydroxypyrrolidine-2,5-dione;6-(2,3,3-trimethylindol-1-ium-1-yl)hexanoic acid;triiodide (PubChem CID 160808010) has the molecular formula C100H128I3N8O11+ and a molecular weight of 1998.88 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-[2-[3-(1-ethyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]hexanoate;6-[2-[3-(1-ethyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid;1-ethyl-2,3,3-trimethylindol-1-ium;1-hydroxypyrrolidine-2,5-dione;6-(2,3,3-trimethylindol-1-ium-1-yl)hexanoic acid;triiodide.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 6-[2-[3-(1-ethyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]hexanoate;6-[2-[3-(1-ethyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid;1-ethyl-2,3,3-trimethylindol-1-ium;1-hydroxypyrrolidine-2,5-dione;6-(2,3,3-trimethylindol-1-ium-1-yl)hexanoic acid;triiodide
• PubChem CID: 160808010
• Molecular Formula: C100H128I3N8O11+
• Molecular Weight: 1998.88 g/mol
• Exact Mass: 1997.68
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 6-[2-[3-(1-ethyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]hexanoate;6-[2-[3-(1-ethyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid;1-ethyl-2,3,3-trimethylindol-1-ium;1-hydroxypyrrolidine-2,5-dione;6-(2,3,3-trimethylindol-1-ium-1-yl)hexanoic acid;triiodide
• SMILES: CC1=[N+](CCCCCC(=O)O)c2ccccc2C1(C)C.CCN1C(=CC=CC2=[N+](CCCCCC(=O)O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.CCN1C(=CC=CC2=[N+](CCCCCC(=O)ON3C(=O)CCC3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.CC[N+]1=C(C)C(C)(C)c2ccccc21.O=C1CCC(=O)N1O.[I-].[I-].[I-]
• InChI: InChI=1S/C35H42N3O4.C31H38N2O2.C17H23NO2.C13H18N.C4H5NO3.3HI/c1-6-36-27-17-11-9-15-25(27)34(2,3)29(36)19-14-20-30-35(4,5)26-16-10-12-18-28(26)37(30)24-13-7-8-21-33(41)42-38-31(39)22-23-32(38)40;1-6-32-25-17-11-9-15-23(25)30(2,3)27(32)19-14-20-28-31(4,5)24-16-10-12-18-26(24)33(28)22-13-7-8-21-29(34)35;1-13-17(2,3)14-9-6-7-10-15(14)18(13)12-8-4-5-11-16(19)20;1-5-14-10(2)13(3,4)11-8-6-7-9-12(11)14;6-3-1-2-4(7)5(3)8;;;/h9-12,14-20H,6-8,13,21-24H2,1-5H3;9-12,14-20H,6-8,13,21-22H2,1-5H3;6-7,9-10H,4-5,8,11-12H2,1-3H3;6-9H,5H2,1-4H3;8H,1-2H2;3*1H/q+1;;;+1;;;;/p-1
• InChIKey: LYHIHEGGVXBSCZ-UHFFFAOYSA-M
• XLogP: 10.82
• TPSA: 214.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 26
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1998.88
LogP ≤ 5	10.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[2-[3-(1-ethyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]hexanoate;6-[2-[3-(1-ethyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid;1-ethyl-2,3,3-trimethylindol-1-ium;1-hydroxypyrrolidine-2,5-dione;6-(2,3,3-trimethylindol-1-ium-1-yl)hexanoic acid;triiodide?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[2-[3-(1-ethyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]hexanoate;6-[2-[3-(1-ethyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid;1-ethyl-2,3,3-trimethylindol-1-ium;1-hydroxypyrrolidine-2,5-dione;6-(2,3,3-trimethylindol-1-ium-1-yl)hexanoic acid;triiodide (CID 160808010) is (2,5-dioxopyrrolidin-1-yl) 6-[2-[3-(1-ethyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]hexanoate;6-[2-[3-(1-ethyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid;1-ethyl-2,3,3-trimethylindol-1-ium;1-hydroxypyrrolidine-2,5-dione;6-(2,3,3-trimethylindol-1-ium-1-yl)hexanoic acid;triiodide.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-[2-[3-(1-ethyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]hexanoate;6-[2-[3-(1-ethyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid;1-ethyl-2,3,3-trimethylindol-1-ium;1-hydroxypyrrolidine-2,5-dione;6-(2,3,3-trimethylindol-1-ium-1-yl)hexanoic acid;triiodide?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-[2-[3-(1-ethyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]hexanoate;6-[2-[3-(1-ethyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid;1-ethyl-2,3,3-trimethylindol-1-ium;1-hydroxypyrrolidine-2,5-dione;6-(2,3,3-trimethylindol-1-ium-1-yl)hexanoic acid;triiodide is CC1=[N+](CCCCCC(=O)O)c2ccccc2C1(C)C.CCN1C(=CC=CC2=[N+](CCCCCC(=O)O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.CCN1C(=CC=CC2=[N+](CCCCCC(=O)ON3C(=O)CCC3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.CC[N+]1=C(C)C(C)(C)c2ccccc21.O=C1CCC(=O)N1O.[I-].[I-].[I-].

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-[2-[3-(1-ethyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]hexanoate;6-[2-[3-(1-ethyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid;1-ethyl-2,3,3-trimethylindol-1-ium;1-hydroxypyrrolidine-2,5-dione;6-(2,3,3-trimethylindol-1-ium-1-yl)hexanoic acid;triiodide?

The InChIKey is LYHIHEGGVXBSCZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C35H42N3O4.C31H38N2O2.C17H23NO2.C13H18N.C4H5NO3.3HI/c1-6-36-27-17-11-9-15-25(27)34(2,3)29(36)19-14-20-30-35(4,5)26-16-10-12-18-28(26)37(30)24-13-7-8-21-33(41)42-38-31(39)22-23-32(38)40;1-6-32-25-17-11-9-15-23(25)30(2,3)27(32)19-14-20-28-31(4,5)24-16-10-12-18-26(24)33(28)22-13-7-8-21-29(34)35;1-13-17(2,3)14-9-6-7-10-15(14)18(13)12-8-4-5-11-16(19)20;1-5-14-10(2)13(3,4)11-8-6-7-9-12(11)14;6-3-1-2-4(7)5(3)8;;;/h9-12,14-20H,6-8,13,21-24H2,1-5H3;9-12,14-20H,6-8,13,21-22H2,1-5H3;6-7,9-10H,4-5,8,11-12H2,1-3H3;6-9H,5H2,1-4H3;8H,1-2H2;3*1H/q+1;;;+1;;;;/p-1.

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-[2-[3-(1-ethyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]hexanoate;6-[2-[3-(1-ethyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid;1-ethyl-2,3,3-trimethylindol-1-ium;1-hydroxypyrrolidine-2,5-dione;6-(2,3,3-trimethylindol-1-ium-1-yl)hexanoic acid;triiodide?

(2,5-dioxopyrrolidin-1-yl) 6-[2-[3-(1-ethyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]hexanoate;6-[2-[3-(1-ethyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid;1-ethyl-2,3,3-trimethylindol-1-ium;1-hydroxypyrrolidine-2,5-dione;6-(2,3,3-trimethylindol-1-ium-1-yl)hexanoic acid;triiodide has a molecular weight of 1998.88 g/mol, XLogP of 10.82, 26 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 6-[2-[3-(1-ethyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]hexanoate;6-[2-[3-(1-ethyl-3,3-dimethylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]hexanoic acid;1-ethyl-2,3,3-trimethylindol-1-ium;1-hydroxypyrrolidine-2,5-dione;6-(2,3,3-trimethylindol-1-ium-1-yl)hexanoic acid;triiodide is sourced from PubChem (CID 160808010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).