2-methoxy-N-methylethenimine

C4H7NO — CID 123522194

IUPAC2-methoxy-N-methylethenimine
SMILESCN=C=COC
InChIInChI=1S/C4H7NO/c1-5-3-4-6-2/h4H,1-2H3
InChIKeySJPJGLBRLHLEHY-UHFFFAOYSA-N
MW85.11 g/mol
LogP0.45
Rot. Bonds1

About 2-methoxy-N-methylethenimine

2-methoxy-N-methylethenimine (PubChem CID 123522194) has the molecular formula C4H7NO and a molecular weight of 85.11 g/mol. Its IUPAC name is 2-methoxy-N-methylethenimine.

Molecular Properties

Compound Name2-methoxy-N-methylethenimine
PubChem CID123522194
Molecular FormulaC4H7NO
Molecular Weight85.11 g/mol
Exact Mass85.05
IUPAC Name2-methoxy-N-methylethenimine
SMILESCN=C=COC
InChIInChI=1S/C4H7NO/c1-5-3-4-6-2/h4H,1-2H3
InChIKeySJPJGLBRLHLEHY-UHFFFAOYSA-N
XLogP0.45
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.11
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methylethenimine?
The IUPAC name of 2-methoxy-N-methylethenimine (CID 123522194) is 2-methoxy-N-methylethenimine.
What is the SMILES notation for 2-methoxy-N-methylethenimine?
The canonical SMILES for 2-methoxy-N-methylethenimine is CN=C=COC.
What is the InChIKey of 2-methoxy-N-methylethenimine?
The InChIKey is SJPJGLBRLHLEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO/c1-5-3-4-6-2/h4H,1-2H3.
What are the key properties of 2-methoxy-N-methylethenimine?
2-methoxy-N-methylethenimine has a molecular weight of 85.11 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methylethenimine is sourced from PubChem (CID 123522194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).