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

C2H5NO4 — CID 175316092

IUPACO-(3-methoxydioxiran-3-yl)hydroxylamine
SMILESCOC1(ON)OO1
InChIInChI=1S/C2H5NO4/c1-4-2(5-3)6-7-2/h3H2,1H3
InChIKeyIBFLJEUJGYNZNU-UHFFFAOYSA-N
MW107.06 g/mol
LogP-0.90
Rot. Bonds2

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

O-(3-methoxydioxiran-3-yl)hydroxylamine (PubChem CID 175316092) has the molecular formula C2H5NO4 and a molecular weight of 107.06 g/mol. Its IUPAC name is O-(3-methoxydioxiran-3-yl)hydroxylamine.

Molecular Properties

Compound NameO-(3-methoxydioxiran-3-yl)hydroxylamine
PubChem CID175316092
Molecular FormulaC2H5NO4
Molecular Weight107.06 g/mol
Exact Mass107.02
IUPAC NameO-(3-methoxydioxiran-3-yl)hydroxylamine
SMILESCOC1(ON)OO1
InChIInChI=1S/C2H5NO4/c1-4-2(5-3)6-7-2/h3H2,1H3
InChIKeyIBFLJEUJGYNZNU-UHFFFAOYSA-N
XLogP-0.90
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.06
LogP ≤ 5-0.90
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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Related Compounds

Azane;3-methoxydioxiran-3-ol
CID 174848331
hydron;O-(3-methoxydioxiran-3-yl)hydroxylamine
CID 175316091

Frequently Asked Questions

What is the IUPAC name of O-(3-methoxydioxiran-3-yl)hydroxylamine?
The IUPAC name of O-(3-methoxydioxiran-3-yl)hydroxylamine (CID 175316092) is O-(3-methoxydioxiran-3-yl)hydroxylamine.
What is the SMILES notation for O-(3-methoxydioxiran-3-yl)hydroxylamine?
The canonical SMILES for O-(3-methoxydioxiran-3-yl)hydroxylamine is COC1(ON)OO1.
What is the InChIKey of O-(3-methoxydioxiran-3-yl)hydroxylamine?
The InChIKey is IBFLJEUJGYNZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO4/c1-4-2(5-3)6-7-2/h3H2,1H3.
What are the key properties of O-(3-methoxydioxiran-3-yl)hydroxylamine?
O-(3-methoxydioxiran-3-yl)hydroxylamine has a molecular weight of 107.06 g/mol, XLogP of -0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-(3-methoxydioxiran-3-yl)hydroxylamine is sourced from PubChem (CID 175316092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).