dihydroxy(dioxo)tungsten;2-methylprop-1-ene;pyrrolidine-2,5-dione

C8H15NO6W — CID 87689592

IUPACdihydroxy(dioxo)tungsten;2-methylprop-1-ene;pyrrolidine-2,5-dione
SMILESC=C(C)C.O=C1CCC(=O)N1.O=[W](=O)(O)O
InChIInChI=1S/C4H5NO2.C4H8.2H2O.2O.W/c6-3-1-2-4(7)5-3;1-4(2)3;;;;;/h1-2H2,(H,5,6,7);1H2,2-3H3;2*1H2;;;/q;;;;;;+2/p-2
InChIKeyJIFQMPVKBBHYSY-UHFFFAOYSA-L
MW405.05 g/mol
LogP-0.35
Rot. Bonds

About dihydroxy(dioxo)tungsten;2-methylprop-1-ene;pyrrolidine-2,5-dione

dihydroxy(dioxo)tungsten;2-methylprop-1-ene;pyrrolidine-2,5-dione (PubChem CID 87689592) has the molecular formula C8H15NO6W and a molecular weight of 405.05 g/mol. Its IUPAC name is dihydroxy(dioxo)tungsten;2-methylprop-1-ene;pyrrolidine-2,5-dione.

Molecular Properties

Compound Namedihydroxy(dioxo)tungsten;2-methylprop-1-ene;pyrrolidine-2,5-dione
PubChem CID87689592
Molecular FormulaC8H15NO6W
Molecular Weight405.05 g/mol
Exact Mass405.04
IUPAC Namedihydroxy(dioxo)tungsten;2-methylprop-1-ene;pyrrolidine-2,5-dione
SMILESC=C(C)C.O=C1CCC(=O)N1.O=[W](=O)(O)O
InChIInChI=1S/C4H5NO2.C4H8.2H2O.2O.W/c6-3-1-2-4(7)5-3;1-4(2)3;;;;;/h1-2H2,(H,5,6,7);1H2,2-3H3;2*1H2;;;/q;;;;;;+2/p-2
InChIKeyJIFQMPVKBBHYSY-UHFFFAOYSA-L
XLogP-0.35
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.05
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dihydroxy(dioxo)tungsten;2-methylprop-1-ene;pyrrolidine-2,5-dione?
The IUPAC name of dihydroxy(dioxo)tungsten;2-methylprop-1-ene;pyrrolidine-2,5-dione (CID 87689592) is dihydroxy(dioxo)tungsten;2-methylprop-1-ene;pyrrolidine-2,5-dione.
What is the SMILES notation for dihydroxy(dioxo)tungsten;2-methylprop-1-ene;pyrrolidine-2,5-dione?
The canonical SMILES for dihydroxy(dioxo)tungsten;2-methylprop-1-ene;pyrrolidine-2,5-dione is C=C(C)C.O=C1CCC(=O)N1.O=[W](=O)(O)O.
What is the InChIKey of dihydroxy(dioxo)tungsten;2-methylprop-1-ene;pyrrolidine-2,5-dione?
The InChIKey is JIFQMPVKBBHYSY-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H5NO2.C4H8.2H2O.2O.W/c6-3-1-2-4(7)5-3;1-4(2)3;;;;;/h1-2H2,(H,5,6,7);1H2,2-3H3;2*1H2;;;/q;;;;;;+2/p-2.
What are the key properties of dihydroxy(dioxo)tungsten;2-methylprop-1-ene;pyrrolidine-2,5-dione?
dihydroxy(dioxo)tungsten;2-methylprop-1-ene;pyrrolidine-2,5-dione has a molecular weight of 405.05 g/mol, XLogP of -0.35, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(dioxo)tungsten;2-methylprop-1-ene;pyrrolidine-2,5-dione is sourced from PubChem (CID 87689592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).