hydron;pyrrolidine-2,5-dione;tetrafluoroborate

C4H6BF4NO2 — CID 174783569

IUPAChydron;pyrrolidine-2,5-dione;tetrafluoroborate
SMILESF[B-](F)(F)F.O=C1CCC(=O)N1.[H+]
InChIInChI=1S/C4H5NO2.BF4/c6-3-1-2-4(7)5-3;2-1(3,4)5/h1-2H2,(H,5,6,7);/q;-1/p+1
InChIKeyXMLPXAXCNLDEMJ-UHFFFAOYSA-O
MW186.90 g/mol
LogP0.84
Rot. Bonds

About hydron;pyrrolidine-2,5-dione;tetrafluoroborate

hydron;pyrrolidine-2,5-dione;tetrafluoroborate (PubChem CID 174783569) has the molecular formula C4H6BF4NO2 and a molecular weight of 186.90 g/mol. Its IUPAC name is hydron;pyrrolidine-2,5-dione;tetrafluoroborate.

Molecular Properties

Compound Namehydron;pyrrolidine-2,5-dione;tetrafluoroborate
PubChem CID174783569
Molecular FormulaC4H6BF4NO2
Molecular Weight186.90 g/mol
Exact Mass187.04
IUPAC Namehydron;pyrrolidine-2,5-dione;tetrafluoroborate
SMILESF[B-](F)(F)F.O=C1CCC(=O)N1.[H+]
InChIInChI=1S/C4H5NO2.BF4/c6-3-1-2-4(7)5-3;2-1(3,4)5/h1-2H2,(H,5,6,7);/q;-1/p+1
InChIKeyXMLPXAXCNLDEMJ-UHFFFAOYSA-O
XLogP0.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.90
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of hydron;pyrrolidine-2,5-dione;tetrafluoroborate?
The IUPAC name of hydron;pyrrolidine-2,5-dione;tetrafluoroborate (CID 174783569) is hydron;pyrrolidine-2,5-dione;tetrafluoroborate.
What is the SMILES notation for hydron;pyrrolidine-2,5-dione;tetrafluoroborate?
The canonical SMILES for hydron;pyrrolidine-2,5-dione;tetrafluoroborate is F[B-](F)(F)F.O=C1CCC(=O)N1.[H+].
What is the InChIKey of hydron;pyrrolidine-2,5-dione;tetrafluoroborate?
The InChIKey is XMLPXAXCNLDEMJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H5NO2.BF4/c6-3-1-2-4(7)5-3;2-1(3,4)5/h1-2H2,(H,5,6,7);/q;-1/p+1.
What are the key properties of hydron;pyrrolidine-2,5-dione;tetrafluoroborate?
hydron;pyrrolidine-2,5-dione;tetrafluoroborate has a molecular weight of 186.90 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;pyrrolidine-2,5-dione;tetrafluoroborate is sourced from PubChem (CID 174783569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).