mercury;1-oxidoazetidin-1-ium

C3H7HgNO — CID 88729794

IUPACmercury;1-oxidoazetidin-1-ium
SMILES[Hg].[O-][NH+]1CCC1
InChIInChI=1S/C3H7NO.Hg/c5-4-2-1-3-4;/h4H,1-3H2;
InChIKeySSFIONMLPBCQFN-UHFFFAOYSA-N
MW273.69 g/mol
LogP-1.23
Rot. Bonds

About mercury;1-oxidoazetidin-1-ium

mercury;1-oxidoazetidin-1-ium (PubChem CID 88729794) has the molecular formula C3H7HgNO and a molecular weight of 273.69 g/mol. Its IUPAC name is mercury;1-oxidoazetidin-1-ium.

Molecular Properties

Compound Namemercury;1-oxidoazetidin-1-ium
PubChem CID88729794
Molecular FormulaC3H7HgNO
Molecular Weight273.69 g/mol
Exact Mass275.02
IUPAC Namemercury;1-oxidoazetidin-1-ium
SMILES[Hg].[O-][NH+]1CCC1
InChIInChI=1S/C3H7NO.Hg/c5-4-2-1-3-4;/h4H,1-3H2;
InChIKeySSFIONMLPBCQFN-UHFFFAOYSA-N
XLogP-1.23
TPSA27.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.69
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of mercury;1-oxidoazetidin-1-ium?
The IUPAC name of mercury;1-oxidoazetidin-1-ium (CID 88729794) is mercury;1-oxidoazetidin-1-ium.
What is the SMILES notation for mercury;1-oxidoazetidin-1-ium?
The canonical SMILES for mercury;1-oxidoazetidin-1-ium is [Hg].[O-][NH+]1CCC1.
What is the InChIKey of mercury;1-oxidoazetidin-1-ium?
The InChIKey is SSFIONMLPBCQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.Hg/c5-4-2-1-3-4;/h4H,1-3H2;.
What are the key properties of mercury;1-oxidoazetidin-1-ium?
mercury;1-oxidoazetidin-1-ium has a molecular weight of 273.69 g/mol, XLogP of -1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for mercury;1-oxidoazetidin-1-ium is sourced from PubChem (CID 88729794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).