[methoxy(oxido)azaniumyl]oxycyclopropane

C4H9NO3 — CID 163650070

IUPAC[methoxy(oxido)azaniumyl]oxycyclopropane
SMILESCO[NH+]([O-])OC1CC1
InChIInChI=1S/C4H9NO3/c1-7-5(6)8-4-2-3-4/h4-5H,2-3H2,1H3
InChIKeyILNCPWMCRANCKV-UHFFFAOYSA-N
MW119.12 g/mol
LogP-0.98
Rot. Bonds3

About [methoxy(oxido)azaniumyl]oxycyclopropane

[methoxy(oxido)azaniumyl]oxycyclopropane (PubChem CID 163650070) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is [methoxy(oxido)azaniumyl]oxycyclopropane.

Molecular Properties

Compound Name[methoxy(oxido)azaniumyl]oxycyclopropane
PubChem CID163650070
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name[methoxy(oxido)azaniumyl]oxycyclopropane
SMILESCO[NH+]([O-])OC1CC1
InChIInChI=1S/C4H9NO3/c1-7-5(6)8-4-2-3-4/h4-5H,2-3H2,1H3
InChIKeyILNCPWMCRANCKV-UHFFFAOYSA-N
XLogP-0.98
TPSA45.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [methoxy(oxido)azaniumyl]oxycyclopropane?
The IUPAC name of [methoxy(oxido)azaniumyl]oxycyclopropane (CID 163650070) is [methoxy(oxido)azaniumyl]oxycyclopropane.
What is the SMILES notation for [methoxy(oxido)azaniumyl]oxycyclopropane?
The canonical SMILES for [methoxy(oxido)azaniumyl]oxycyclopropane is CO[NH+]([O-])OC1CC1.
What is the InChIKey of [methoxy(oxido)azaniumyl]oxycyclopropane?
The InChIKey is ILNCPWMCRANCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c1-7-5(6)8-4-2-3-4/h4-5H,2-3H2,1H3.
What are the key properties of [methoxy(oxido)azaniumyl]oxycyclopropane?
[methoxy(oxido)azaniumyl]oxycyclopropane has a molecular weight of 119.12 g/mol, XLogP of -0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy(oxido)azaniumyl]oxycyclopropane is sourced from PubChem (CID 163650070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).