sodium;5-amino-1-[2-(2-methoxyethoxy)ethyl]-3,3-dimethylindol-2-one;1-(2-bromoethoxy)-2-methoxyethane;3,3-dimethyl-5-nitro-1H-indol-2-one;ethanol;hydride;1-[2-(2-methoxyethoxy)ethyl]-3,3-dimethyl-5-nitroindol-2-one

C47H70BrN6NaO14 — CID 159185852

About sodium;5-amino-1-[2-(2-methoxyethoxy)ethyl]-3,3-dimethylindol-2-one;1-(2-bromoethoxy)-2-methoxyethane;3,3-dimethyl-5-nitro-1H-indol-2-one;ethanol;hydride;1-[2-(2-methoxyethoxy)ethyl]-3,3-dimethyl-5-nitroindol-2-one

sodium;5-amino-1-[2-(2-methoxyethoxy)ethyl]-3,3-dimethylindol-2-one;1-(2-bromoethoxy)-2-methoxyethane;3,3-dimethyl-5-nitro-1H-indol-2-one;ethanol;hydride;1-[2-(2-methoxyethoxy)ethyl]-3,3-dimethyl-5-nitroindol-2-one (PubChem CID 159185852) has the molecular formula C47H70BrN6NaO14 and a molecular weight of 1046.00 g/mol. Its IUPAC name is sodium;5-amino-1-[2-(2-methoxyethoxy)ethyl]-3,3-dimethylindol-2-one;1-(2-bromoethoxy)-2-methoxyethane;3,3-dimethyl-5-nitro-1H-indol-2-one;ethanol;hydride;1-[2-(2-methoxyethoxy)ethyl]-3,3-dimethyl-5-nitroindol-2-one.

Molecular Properties

• Compound Name: sodium;5-amino-1-[2-(2-methoxyethoxy)ethyl]-3,3-dimethylindol-2-one;1-(2-bromoethoxy)-2-methoxyethane;3,3-dimethyl-5-nitro-1H-indol-2-one;ethanol;hydride;1-[2-(2-methoxyethoxy)ethyl]-3,3-dimethyl-5-nitroindol-2-one
• PubChem CID: 159185852
• Molecular Formula: C47H70BrN6NaO14
• Molecular Weight: 1046.00 g/mol
• Exact Mass: 1044.40
• IUPAC Name: sodium;5-amino-1-[2-(2-methoxyethoxy)ethyl]-3,3-dimethylindol-2-one;1-(2-bromoethoxy)-2-methoxyethane;3,3-dimethyl-5-nitro-1H-indol-2-one;ethanol;hydride;1-[2-(2-methoxyethoxy)ethyl]-3,3-dimethyl-5-nitroindol-2-one
• SMILES: CC1(C)C(=O)Nc2ccc([N+](=O)[O-])cc21.CCO.COCCOCCBr.COCCOCCN1C(=O)C(C)(C)c2cc(N)ccc21.COCCOCCN1C(=O)C(C)(C)c2cc([N+](=O)[O-])ccc21.[H-].[Na+]
• InChI: InChI=1S/C15H20N2O5.C15H22N2O3.C10H10N2O3.C5H11BrO2.C2H6O.Na.H/c1-15(2)12-10-11(17(19)20)4-5-13(12)16(14(15)18)6-7-22-9-8-21-3;1-15(2)12-10-11(16)4-5-13(12)17(14(15)18)6-7-20-9-8-19-3;1-10(2)7-5-6(12(14)15)3-4-8(7)11-9(10)13;1-7-4-5-8-3-2-6;1-2-3;;/h4-5,10H,6-9H2,1-3H3;4-5,10H,6-9,16H2,1-3H3;3-5H,1-2H3,(H,11,13);2-5H2,1H3;3H,2H2,1H3;;/q;;;;;+1;-1
• InChIKey: NZPPEGIDBZUQFC-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 257.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 19
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1046.00
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;5-amino-1-[2-(2-methoxyethoxy)ethyl]-3,3-dimethylindol-2-one;1-(2-bromoethoxy)-2-methoxyethane;3,3-dimethyl-5-nitro-1H-indol-2-one;ethanol;hydride;1-[2-(2-methoxyethoxy)ethyl]-3,3-dimethyl-5-nitroindol-2-one?

The IUPAC name of sodium;5-amino-1-[2-(2-methoxyethoxy)ethyl]-3,3-dimethylindol-2-one;1-(2-bromoethoxy)-2-methoxyethane;3,3-dimethyl-5-nitro-1H-indol-2-one;ethanol;hydride;1-[2-(2-methoxyethoxy)ethyl]-3,3-dimethyl-5-nitroindol-2-one (CID 159185852) is sodium;5-amino-1-[2-(2-methoxyethoxy)ethyl]-3,3-dimethylindol-2-one;1-(2-bromoethoxy)-2-methoxyethane;3,3-dimethyl-5-nitro-1H-indol-2-one;ethanol;hydride;1-[2-(2-methoxyethoxy)ethyl]-3,3-dimethyl-5-nitroindol-2-one.

What is the SMILES notation for sodium;5-amino-1-[2-(2-methoxyethoxy)ethyl]-3,3-dimethylindol-2-one;1-(2-bromoethoxy)-2-methoxyethane;3,3-dimethyl-5-nitro-1H-indol-2-one;ethanol;hydride;1-[2-(2-methoxyethoxy)ethyl]-3,3-dimethyl-5-nitroindol-2-one?

The canonical SMILES for sodium;5-amino-1-[2-(2-methoxyethoxy)ethyl]-3,3-dimethylindol-2-one;1-(2-bromoethoxy)-2-methoxyethane;3,3-dimethyl-5-nitro-1H-indol-2-one;ethanol;hydride;1-[2-(2-methoxyethoxy)ethyl]-3,3-dimethyl-5-nitroindol-2-one is CC1(C)C(=O)Nc2ccc([N+](=O)[O-])cc21.CCO.COCCOCCBr.COCCOCCN1C(=O)C(C)(C)c2cc(N)ccc21.COCCOCCN1C(=O)C(C)(C)c2cc([N+](=O)[O-])ccc21.[H-].[Na+].

What is the InChIKey of sodium;5-amino-1-[2-(2-methoxyethoxy)ethyl]-3,3-dimethylindol-2-one;1-(2-bromoethoxy)-2-methoxyethane;3,3-dimethyl-5-nitro-1H-indol-2-one;ethanol;hydride;1-[2-(2-methoxyethoxy)ethyl]-3,3-dimethyl-5-nitroindol-2-one?

The InChIKey is NZPPEGIDBZUQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5.C15H22N2O3.C10H10N2O3.C5H11BrO2.C2H6O.Na.H/c1-15(2)12-10-11(17(19)20)4-5-13(12)16(14(15)18)6-7-22-9-8-21-3;1-15(2)12-10-11(16)4-5-13(12)17(14(15)18)6-7-20-9-8-19-3;1-10(2)7-5-6(12(14)15)3-4-8(7)11-9(10)13;1-7-4-5-8-3-2-6;1-2-3;;/h4-5,10H,6-9H2,1-3H3;4-5,10H,6-9,16H2,1-3H3;3-5H,1-2H3,(H,11,13);2-5H2,1H3;3H,2H2,1H3;;/q;;;;;+1;-1.

What are the key properties of sodium;5-amino-1-[2-(2-methoxyethoxy)ethyl]-3,3-dimethylindol-2-one;1-(2-bromoethoxy)-2-methoxyethane;3,3-dimethyl-5-nitro-1H-indol-2-one;ethanol;hydride;1-[2-(2-methoxyethoxy)ethyl]-3,3-dimethyl-5-nitroindol-2-one?

sodium;5-amino-1-[2-(2-methoxyethoxy)ethyl]-3,3-dimethylindol-2-one;1-(2-bromoethoxy)-2-methoxyethane;3,3-dimethyl-5-nitro-1H-indol-2-one;ethanol;hydride;1-[2-(2-methoxyethoxy)ethyl]-3,3-dimethyl-5-nitroindol-2-one has a molecular weight of 1046.00 g/mol, XLogP of 3.42, 19 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;5-amino-1-[2-(2-methoxyethoxy)ethyl]-3,3-dimethylindol-2-one;1-(2-bromoethoxy)-2-methoxyethane;3,3-dimethyl-5-nitro-1H-indol-2-one;ethanol;hydride;1-[2-(2-methoxyethoxy)ethyl]-3,3-dimethyl-5-nitroindol-2-one is sourced from PubChem (CID 159185852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).