1-(2-methylbenzene-4-id-1-yl)-1,3-diazinane-2,4-dione;tungsten

C11H11N2O2W- — CID 178000620

IUPAC1-(2-methylbenzene-4-id-1-yl)-1,3-diazinane-2,4-dione;tungsten
SMILESCc1c[c-]ccc1N1CCC(=O)NC1=O.[W]
InChIInChI=1S/C11H11N2O2.W/c1-8-4-2-3-5-9(8)13-7-6-10(14)12-11(13)15;/h3-5H,6-7H2,1H3,(H,12,14,15);/q-1;
InChIKeyGKQGDXMIRDTOMG-UHFFFAOYSA-N
MW387.06 g/mol
LogP1.24
Rot. Bonds1

About 1-(2-methylbenzene-4-id-1-yl)-1,3-diazinane-2,4-dione;tungsten

1-(2-methylbenzene-4-id-1-yl)-1,3-diazinane-2,4-dione;tungsten (PubChem CID 178000620) has the molecular formula C11H11N2O2W- and a molecular weight of 387.06 g/mol. Its IUPAC name is 1-(2-methylbenzene-4-id-1-yl)-1,3-diazinane-2,4-dione;tungsten.

Molecular Properties

Compound Name1-(2-methylbenzene-4-id-1-yl)-1,3-diazinane-2,4-dione;tungsten
PubChem CID178000620
Molecular FormulaC11H11N2O2W-
Molecular Weight387.06 g/mol
Exact Mass387.03
IUPAC Name1-(2-methylbenzene-4-id-1-yl)-1,3-diazinane-2,4-dione;tungsten
SMILESCc1c[c-]ccc1N1CCC(=O)NC1=O.[W]
InChIInChI=1S/C11H11N2O2.W/c1-8-4-2-3-5-9(8)13-7-6-10(14)12-11(13)15;/h3-5H,6-7H2,1H3,(H,12,14,15);/q-1;
InChIKeyGKQGDXMIRDTOMG-UHFFFAOYSA-N
XLogP1.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.06
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbenzene-4-id-1-yl)-1,3-diazinane-2,4-dione;tungsten?
The IUPAC name of 1-(2-methylbenzene-4-id-1-yl)-1,3-diazinane-2,4-dione;tungsten (CID 178000620) is 1-(2-methylbenzene-4-id-1-yl)-1,3-diazinane-2,4-dione;tungsten.
What is the SMILES notation for 1-(2-methylbenzene-4-id-1-yl)-1,3-diazinane-2,4-dione;tungsten?
The canonical SMILES for 1-(2-methylbenzene-4-id-1-yl)-1,3-diazinane-2,4-dione;tungsten is Cc1c[c-]ccc1N1CCC(=O)NC1=O.[W].
What is the InChIKey of 1-(2-methylbenzene-4-id-1-yl)-1,3-diazinane-2,4-dione;tungsten?
The InChIKey is GKQGDXMIRDTOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N2O2.W/c1-8-4-2-3-5-9(8)13-7-6-10(14)12-11(13)15;/h3-5H,6-7H2,1H3,(H,12,14,15);/q-1;.
What are the key properties of 1-(2-methylbenzene-4-id-1-yl)-1,3-diazinane-2,4-dione;tungsten?
1-(2-methylbenzene-4-id-1-yl)-1,3-diazinane-2,4-dione;tungsten has a molecular weight of 387.06 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbenzene-4-id-1-yl)-1,3-diazinane-2,4-dione;tungsten is sourced from PubChem (CID 178000620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).