(Z)-N-methoxyethanimine

C3H7NO — CID 5362947

IUPAC(Z)-N-methoxyethanimine
SMILESC/C=N\OC
InChIInChI=1S/C3H7NO/c1-3-4-5-2/h3H,1-2H3/b4-3-
InChIKeyKAAHHLOYOIUHHH-ARJAWSKDSA-N
MW73.09 g/mol
LogP0.64
Rot. Bonds1

About (Z)-N-methoxyethanimine

(Z)-N-methoxyethanimine (PubChem CID 5362947) has the molecular formula C3H7NO and a molecular weight of 73.09 g/mol. Its IUPAC name is (Z)-N-methoxyethanimine.

Molecular Properties

Compound Name(Z)-N-methoxyethanimine
PubChem CID5362947
Molecular FormulaC3H7NO
Molecular Weight73.09 g/mol
Exact Mass73.05
IUPAC Name(Z)-N-methoxyethanimine
SMILESC/C=N\OC
InChIInChI=1S/C3H7NO/c1-3-4-5-2/h3H,1-2H3/b4-3-
InChIKeyKAAHHLOYOIUHHH-ARJAWSKDSA-N
XLogP0.64
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.09
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (Z)-N-methoxyethanimine?
The IUPAC name of (Z)-N-methoxyethanimine (CID 5362947) is (Z)-N-methoxyethanimine.
What is the SMILES notation for (Z)-N-methoxyethanimine?
The canonical SMILES for (Z)-N-methoxyethanimine is C/C=N\OC.
What is the InChIKey of (Z)-N-methoxyethanimine?
The InChIKey is KAAHHLOYOIUHHH-ARJAWSKDSA-N. The full InChI is InChI=1S/C3H7NO/c1-3-4-5-2/h3H,1-2H3/b4-3-.
What are the key properties of (Z)-N-methoxyethanimine?
(Z)-N-methoxyethanimine has a molecular weight of 73.09 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methoxyethanimine is sourced from PubChem (CID 5362947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).