azane;dioxolane

C3H9NO2 — CID 173091565

IUPACazane;dioxolane
SMILESC1COOC1.N
InChIInChI=1S/C3H6O2.H3N/c1-2-4-5-3-1;/h1-3H2;1H3
InChIKeyHVMKSVQRNDBYCS-UHFFFAOYSA-N
MW91.11 g/mol
LogP0.50
Rot. Bonds

About azane;dioxolane

azane;dioxolane (PubChem CID 173091565) has the molecular formula C3H9NO2 and a molecular weight of 91.11 g/mol. Its IUPAC name is azane;dioxolane.

Molecular Properties

Compound Nameazane;dioxolane
PubChem CID173091565
Molecular FormulaC3H9NO2
Molecular Weight91.11 g/mol
Exact Mass91.06
IUPAC Nameazane;dioxolane
SMILESC1COOC1.N
InChIInChI=1S/C3H6O2.H3N/c1-2-4-5-3-1;/h1-3H2;1H3
InChIKeyHVMKSVQRNDBYCS-UHFFFAOYSA-N
XLogP0.50
TPSA53.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.11
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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;dioxolane?
The IUPAC name of azane;dioxolane (CID 173091565) is azane;dioxolane.
What is the SMILES notation for azane;dioxolane?
The canonical SMILES for azane;dioxolane is C1COOC1.N.
What is the InChIKey of azane;dioxolane?
The InChIKey is HVMKSVQRNDBYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.H3N/c1-2-4-5-3-1;/h1-3H2;1H3.
What are the key properties of azane;dioxolane?
azane;dioxolane has a molecular weight of 91.11 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;dioxolane is sourced from PubChem (CID 173091565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).