bis(5,6-dihydroxy-2-methylisoindole-1,3-dione);tungsten

C18H14N2O8W — CID 164728278

IUPACbis(5,6-dihydroxy-2-methylisoindole-1,3-dione);tungsten
SMILESCN1C(=O)c2cc(O)c(O)cc2C1=O.CN1C(=O)c2cc(O)c(O)cc2C1=O.[W]
InChIInChI=1S/2C9H7NO4.W/c2*1-10-8(13)4-2-6(11)7(12)3-5(4)9(10)14;/h2*2-3,11-12H,1H3;
InChIKeyQZKNMVTUQHSDND-UHFFFAOYSA-N
MW570.16 g/mol
LogP0.64
Rot. Bonds

About bis(5,6-dihydroxy-2-methylisoindole-1,3-dione);tungsten

bis(5,6-dihydroxy-2-methylisoindole-1,3-dione);tungsten (PubChem CID 164728278) has the molecular formula C18H14N2O8W and a molecular weight of 570.16 g/mol. Its IUPAC name is bis(5,6-dihydroxy-2-methylisoindole-1,3-dione);tungsten.

Molecular Properties

Compound Namebis(5,6-dihydroxy-2-methylisoindole-1,3-dione);tungsten
PubChem CID164728278
Molecular FormulaC18H14N2O8W
Molecular Weight570.16 g/mol
Exact Mass570.03
IUPAC Namebis(5,6-dihydroxy-2-methylisoindole-1,3-dione);tungsten
SMILESCN1C(=O)c2cc(O)c(O)cc2C1=O.CN1C(=O)c2cc(O)c(O)cc2C1=O.[W]
InChIInChI=1S/2C9H7NO4.W/c2*1-10-8(13)4-2-6(11)7(12)3-5(4)9(10)14;/h2*2-3,11-12H,1H3;
InChIKeyQZKNMVTUQHSDND-UHFFFAOYSA-N
XLogP0.64
TPSA155.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.16
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(5,6-dihydroxy-2-methylisoindole-1,3-dione);tungsten?
The IUPAC name of bis(5,6-dihydroxy-2-methylisoindole-1,3-dione);tungsten (CID 164728278) is bis(5,6-dihydroxy-2-methylisoindole-1,3-dione);tungsten.
What is the SMILES notation for bis(5,6-dihydroxy-2-methylisoindole-1,3-dione);tungsten?
The canonical SMILES for bis(5,6-dihydroxy-2-methylisoindole-1,3-dione);tungsten is CN1C(=O)c2cc(O)c(O)cc2C1=O.CN1C(=O)c2cc(O)c(O)cc2C1=O.[W].
What is the InChIKey of bis(5,6-dihydroxy-2-methylisoindole-1,3-dione);tungsten?
The InChIKey is QZKNMVTUQHSDND-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7NO4.W/c2*1-10-8(13)4-2-6(11)7(12)3-5(4)9(10)14;/h2*2-3,11-12H,1H3;.
What are the key properties of bis(5,6-dihydroxy-2-methylisoindole-1,3-dione);tungsten?
bis(5,6-dihydroxy-2-methylisoindole-1,3-dione);tungsten has a molecular weight of 570.16 g/mol, XLogP of 0.64, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5,6-dihydroxy-2-methylisoindole-1,3-dione);tungsten is sourced from PubChem (CID 164728278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).