azane;3-methoxydioxiran-3-ol

C2H7NO4 — CID 174848331

IUPACazane;3-methoxydioxiran-3-ol
SMILESCOC1(O)OO1.N
InChIInChI=1S/C2H4O4.H3N/c1-4-2(3)5-6-2;/h3H,1H3;1H3
InChIKeyYIGROYKRDNYUCU-UHFFFAOYSA-N
MW109.08 g/mol
LogP-0.64
Rot. Bonds1

About azane;3-methoxydioxiran-3-ol

azane;3-methoxydioxiran-3-ol (PubChem CID 174848331) has the molecular formula C2H7NO4 and a molecular weight of 109.08 g/mol. Its IUPAC name is azane;3-methoxydioxiran-3-ol.

Molecular Properties

Compound Nameazane;3-methoxydioxiran-3-ol
PubChem CID174848331
Molecular FormulaC2H7NO4
Molecular Weight109.08 g/mol
Exact Mass109.04
IUPAC Nameazane;3-methoxydioxiran-3-ol
SMILESCOC1(O)OO1.N
InChIInChI=1S/C2H4O4.H3N/c1-4-2(3)5-6-2;/h3H,1H3;1H3
InChIKeyYIGROYKRDNYUCU-UHFFFAOYSA-N
XLogP-0.64
TPSA89.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.08
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Methoxydioxiran-3-ol
CID 87359266
Calcium;hydride;3-methoxydioxiran-3-ol
CID 173064085
Azane;hydron;3-methoxydioxiran-3-ol
CID 174843968
Cobalt;3-methoxydioxiran-3-ol
CID 174897941
hydron;O-(3-methoxydioxiran-3-yl)hydroxylamine
CID 175316091
Lanthanum;3-methoxydioxiran-3-ol
CID 175608723
O-(3-methoxydioxiran-3-yl)hydroxylamine
CID 175316092

Frequently Asked Questions

What is the IUPAC name of azane;3-methoxydioxiran-3-ol?
The IUPAC name of azane;3-methoxydioxiran-3-ol (CID 174848331) is azane;3-methoxydioxiran-3-ol.
What is the SMILES notation for azane;3-methoxydioxiran-3-ol?
The canonical SMILES for azane;3-methoxydioxiran-3-ol is COC1(O)OO1.N.
What is the InChIKey of azane;3-methoxydioxiran-3-ol?
The InChIKey is YIGROYKRDNYUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O4.H3N/c1-4-2(3)5-6-2;/h3H,1H3;1H3.
What are the key properties of azane;3-methoxydioxiran-3-ol?
azane;3-methoxydioxiran-3-ol has a molecular weight of 109.08 g/mol, XLogP of -0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-methoxydioxiran-3-ol is sourced from PubChem (CID 174848331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).