N-methoxyoxan-4-imine

C6H11NO2 — CID 10909596

IUPACN-methoxyoxan-4-imine
SMILESCON=C1CCOCC1
InChIInChI=1S/C6H11NO2/c1-8-7-6-2-4-9-5-3-6/h2-5H2,1H3
InChIKeyCFBDDNAROAGTOQ-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.80
Rot. Bonds1

About N-methoxyoxan-4-imine

N-methoxyoxan-4-imine (PubChem CID 10909596) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is N-methoxyoxan-4-imine.

Molecular Properties

Compound NameN-methoxyoxan-4-imine
PubChem CID10909596
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC NameN-methoxyoxan-4-imine
SMILESCON=C1CCOCC1
InChIInChI=1S/C6H11NO2/c1-8-7-6-2-4-9-5-3-6/h2-5H2,1H3
InChIKeyCFBDDNAROAGTOQ-UHFFFAOYSA-N
XLogP0.80
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxyoxan-4-imine?
The IUPAC name of N-methoxyoxan-4-imine (CID 10909596) is N-methoxyoxan-4-imine.
What is the SMILES notation for N-methoxyoxan-4-imine?
The canonical SMILES for N-methoxyoxan-4-imine is CON=C1CCOCC1.
What is the InChIKey of N-methoxyoxan-4-imine?
The InChIKey is CFBDDNAROAGTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-8-7-6-2-4-9-5-3-6/h2-5H2,1H3.
What are the key properties of N-methoxyoxan-4-imine?
N-methoxyoxan-4-imine has a molecular weight of 129.16 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxyoxan-4-imine is sourced from PubChem (CID 10909596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).