hydron;O-(3-methoxydioxiran-3-yl)hydroxylamine

C2H6NO4+ — CID 175316091

IUPAChydron;O-(3-methoxydioxiran-3-yl)hydroxylamine
SMILESCOC1(ON)OO1.[H+]
InChIInChI=1S/C2H5NO4/c1-4-2(5-3)6-7-2/h3H2,1H3/p+1
InChIKeyIBFLJEUJGYNZNU-UHFFFAOYSA-O
MW108.07 g/mol
LogP-0.79
Rot. Bonds2

About hydron;O-(3-methoxydioxiran-3-yl)hydroxylamine

hydron;O-(3-methoxydioxiran-3-yl)hydroxylamine (PubChem CID 175316091) has the molecular formula C2H6NO4+ and a molecular weight of 108.07 g/mol. Its IUPAC name is hydron;O-(3-methoxydioxiran-3-yl)hydroxylamine.

Molecular Properties

Compound Namehydron;O-(3-methoxydioxiran-3-yl)hydroxylamine
PubChem CID175316091
Molecular FormulaC2H6NO4+
Molecular Weight108.07 g/mol
Exact Mass108.03
IUPAC Namehydron;O-(3-methoxydioxiran-3-yl)hydroxylamine
SMILESCOC1(ON)OO1.[H+]
InChIInChI=1S/C2H5NO4/c1-4-2(5-3)6-7-2/h3H2,1H3/p+1
InChIKeyIBFLJEUJGYNZNU-UHFFFAOYSA-O
XLogP-0.79
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.07
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydron;O-(3-methoxydioxiran-3-yl)hydroxylamine?
The IUPAC name of hydron;O-(3-methoxydioxiran-3-yl)hydroxylamine (CID 175316091) is hydron;O-(3-methoxydioxiran-3-yl)hydroxylamine.
What is the SMILES notation for hydron;O-(3-methoxydioxiran-3-yl)hydroxylamine?
The canonical SMILES for hydron;O-(3-methoxydioxiran-3-yl)hydroxylamine is COC1(ON)OO1.[H+].
What is the InChIKey of hydron;O-(3-methoxydioxiran-3-yl)hydroxylamine?
The InChIKey is IBFLJEUJGYNZNU-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H5NO4/c1-4-2(5-3)6-7-2/h3H2,1H3/p+1.
What are the key properties of hydron;O-(3-methoxydioxiran-3-yl)hydroxylamine?
hydron;O-(3-methoxydioxiran-3-yl)hydroxylamine has a molecular weight of 108.07 g/mol, XLogP of -0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;O-(3-methoxydioxiran-3-yl)hydroxylamine is sourced from PubChem (CID 175316091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).