6-methyl-1,7-dihydroindol-7-ide-2,3-dione;tungsten

C9H6NO2W2- — CID 59855094

IUPAC6-methyl-1,7-dihydroindol-7-ide-2,3-dione;tungsten
SMILESCc1[c-]c2c(cc1)C(=O)C(=O)N2.[W].[W]
InChIInChI=1S/C9H6NO2.2W/c1-5-2-3-6-7(4-5)10-9(12)8(6)11;;/h2-3H,1H3,(H,10,11,12);;/q-1;;
InChIKeyGLOHQVBHRKXQDU-UHFFFAOYSA-N
MW527.83 g/mol
LogP0.93
Rot. Bonds

About 6-methyl-1,7-dihydroindol-7-ide-2,3-dione;tungsten

6-methyl-1,7-dihydroindol-7-ide-2,3-dione;tungsten (PubChem CID 59855094) has the molecular formula C9H6NO2W2- and a molecular weight of 527.83 g/mol. Its IUPAC name is 6-methyl-1,7-dihydroindol-7-ide-2,3-dione;tungsten.

Molecular Properties

Compound Name6-methyl-1,7-dihydroindol-7-ide-2,3-dione;tungsten
PubChem CID59855094
Molecular FormulaC9H6NO2W2-
Molecular Weight527.83 g/mol
Exact Mass527.94
IUPAC Name6-methyl-1,7-dihydroindol-7-ide-2,3-dione;tungsten
SMILESCc1[c-]c2c(cc1)C(=O)C(=O)N2.[W].[W]
InChIInChI=1S/C9H6NO2.2W/c1-5-2-3-6-7(4-5)10-9(12)8(6)11;;/h2-3H,1H3,(H,10,11,12);;/q-1;;
InChIKeyGLOHQVBHRKXQDU-UHFFFAOYSA-N
XLogP0.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.83
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,7-dihydroindol-7-ide-2,3-dione;tungsten?
The IUPAC name of 6-methyl-1,7-dihydroindol-7-ide-2,3-dione;tungsten (CID 59855094) is 6-methyl-1,7-dihydroindol-7-ide-2,3-dione;tungsten.
What is the SMILES notation for 6-methyl-1,7-dihydroindol-7-ide-2,3-dione;tungsten?
The canonical SMILES for 6-methyl-1,7-dihydroindol-7-ide-2,3-dione;tungsten is Cc1[c-]c2c(cc1)C(=O)C(=O)N2.[W].[W].
What is the InChIKey of 6-methyl-1,7-dihydroindol-7-ide-2,3-dione;tungsten?
The InChIKey is GLOHQVBHRKXQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6NO2.2W/c1-5-2-3-6-7(4-5)10-9(12)8(6)11;;/h2-3H,1H3,(H,10,11,12);;/q-1;;.
What are the key properties of 6-methyl-1,7-dihydroindol-7-ide-2,3-dione;tungsten?
6-methyl-1,7-dihydroindol-7-ide-2,3-dione;tungsten has a molecular weight of 527.83 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,7-dihydroindol-7-ide-2,3-dione;tungsten is sourced from PubChem (CID 59855094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).