azane;dioxane;morpholine

C8H20N2O3 — CID 88848111

IUPACazane;dioxane;morpholine
SMILESC1CCOOC1.C1COCCN1.N
InChIInChI=1S/C4H9NO.C4H8O2.H3N/c1-3-6-4-2-5-1;1-2-4-6-5-3-1;/h5H,1-4H2;1-4H2;1H3
InChIKeyLGXYSMJTMNUKPM-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.50
Rot. Bonds

About azane;dioxane;morpholine

azane;dioxane;morpholine (PubChem CID 88848111) has the molecular formula C8H20N2O3 and a molecular weight of 192.26 g/mol. Its IUPAC name is azane;dioxane;morpholine.

Molecular Properties

Compound Nameazane;dioxane;morpholine
PubChem CID88848111
Molecular FormulaC8H20N2O3
Molecular Weight192.26 g/mol
Exact Mass192.15
IUPAC Nameazane;dioxane;morpholine
SMILESC1CCOOC1.C1COCCN1.N
InChIInChI=1S/C4H9NO.C4H8O2.H3N/c1-3-6-4-2-5-1;1-2-4-6-5-3-1;/h5H,1-4H2;1-4H2;1H3
InChIKeyLGXYSMJTMNUKPM-UHFFFAOYSA-N
XLogP0.50
TPSA74.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;dioxane;morpholine?
The IUPAC name of azane;dioxane;morpholine (CID 88848111) is azane;dioxane;morpholine.
What is the SMILES notation for azane;dioxane;morpholine?
The canonical SMILES for azane;dioxane;morpholine is C1CCOOC1.C1COCCN1.N.
What is the InChIKey of azane;dioxane;morpholine?
The InChIKey is LGXYSMJTMNUKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C4H8O2.H3N/c1-3-6-4-2-5-1;1-2-4-6-5-3-1;/h5H,1-4H2;1-4H2;1H3.
What are the key properties of azane;dioxane;morpholine?
azane;dioxane;morpholine has a molecular weight of 192.26 g/mol, XLogP of 0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;dioxane;morpholine is sourced from PubChem (CID 88848111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).