2-methylpropan-1-one;pyrrol-1-ide-2,5-dione;tungsten(2+)

C8H9NO3W — CID 172514769

IUPAC2-methylpropan-1-one;pyrrol-1-ide-2,5-dione;tungsten(2+)
SMILESCC(C)[C-]=O.O=C1C=CC(=O)[N-]1.[W+2]
InChIInChI=1S/C4H3NO2.C4H7O.W/c6-3-1-2-4(7)5-3;1-4(2)3-5;/h1-2H,(H,5,6,7);4H,1-2H3;/q;-1;+2/p-1
InChIKeyUYVQLRMCIIAARW-UHFFFAOYSA-M
MW351.00 g/mol
LogP0.73
Rot. Bonds1

About 2-methylpropan-1-one;pyrrol-1-ide-2,5-dione;tungsten(2+)

2-methylpropan-1-one;pyrrol-1-ide-2,5-dione;tungsten(2+) (PubChem CID 172514769) has the molecular formula C8H9NO3W and a molecular weight of 351.00 g/mol. Its IUPAC name is 2-methylpropan-1-one;pyrrol-1-ide-2,5-dione;tungsten(2+).

Molecular Properties

Compound Name2-methylpropan-1-one;pyrrol-1-ide-2,5-dione;tungsten(2+)
PubChem CID172514769
Molecular FormulaC8H9NO3W
Molecular Weight351.00 g/mol
Exact Mass351.01
IUPAC Name2-methylpropan-1-one;pyrrol-1-ide-2,5-dione;tungsten(2+)
SMILESCC(C)[C-]=O.O=C1C=CC(=O)[N-]1.[W+2]
InChIInChI=1S/C4H3NO2.C4H7O.W/c6-3-1-2-4(7)5-3;1-4(2)3-5;/h1-2H,(H,5,6,7);4H,1-2H3;/q;-1;+2/p-1
InChIKeyUYVQLRMCIIAARW-UHFFFAOYSA-M
XLogP0.73
TPSA65.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.00
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-1-one;pyrrol-1-ide-2,5-dione;tungsten(2+)?
The IUPAC name of 2-methylpropan-1-one;pyrrol-1-ide-2,5-dione;tungsten(2+) (CID 172514769) is 2-methylpropan-1-one;pyrrol-1-ide-2,5-dione;tungsten(2+).
What is the SMILES notation for 2-methylpropan-1-one;pyrrol-1-ide-2,5-dione;tungsten(2+)?
The canonical SMILES for 2-methylpropan-1-one;pyrrol-1-ide-2,5-dione;tungsten(2+) is CC(C)[C-]=O.O=C1C=CC(=O)[N-]1.[W+2].
What is the InChIKey of 2-methylpropan-1-one;pyrrol-1-ide-2,5-dione;tungsten(2+)?
The InChIKey is UYVQLRMCIIAARW-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H3NO2.C4H7O.W/c6-3-1-2-4(7)5-3;1-4(2)3-5;/h1-2H,(H,5,6,7);4H,1-2H3;/q;-1;+2/p-1.
What are the key properties of 2-methylpropan-1-one;pyrrol-1-ide-2,5-dione;tungsten(2+)?
2-methylpropan-1-one;pyrrol-1-ide-2,5-dione;tungsten(2+) has a molecular weight of 351.00 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-1-one;pyrrol-1-ide-2,5-dione;tungsten(2+) is sourced from PubChem (CID 172514769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).