(Z)-N,2-dimethoxyethanimine;2-methoxyacetaldehyde

C7H15NO4 — CID 54355769

IUPAC(Z)-N,2-dimethoxyethanimine;2-methoxyacetaldehyde
SMILESCOC/C=N\OC.COCC=O
InChIInChI=1S/C4H9NO2.C3H6O2/c1-6-4-3-5-7-2;1-5-3-2-4/h3H,4H2,1-2H3;2H,3H2,1H3/b5-3-;
InChIKeyUIZQHZGTFGIHJZ-FBZPGIPVSA-N
MW177.20 g/mol
LogP0.10
Rot. Bonds5

About (Z)-N,2-dimethoxyethanimine;2-methoxyacetaldehyde

(Z)-N,2-dimethoxyethanimine;2-methoxyacetaldehyde (PubChem CID 54355769) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is (Z)-N,2-dimethoxyethanimine;2-methoxyacetaldehyde.

Molecular Properties

Compound Name(Z)-N,2-dimethoxyethanimine;2-methoxyacetaldehyde
PubChem CID54355769
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name(Z)-N,2-dimethoxyethanimine;2-methoxyacetaldehyde
SMILESCOC/C=N\OC.COCC=O
InChIInChI=1S/C4H9NO2.C3H6O2/c1-6-4-3-5-7-2;1-5-3-2-4/h3H,4H2,1-2H3;2H,3H2,1H3/b5-3-;
InChIKeyUIZQHZGTFGIHJZ-FBZPGIPVSA-N
XLogP0.10
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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,2-dimethoxyethanimine;2-methoxyacetaldehyde?
The IUPAC name of (Z)-N,2-dimethoxyethanimine;2-methoxyacetaldehyde (CID 54355769) is (Z)-N,2-dimethoxyethanimine;2-methoxyacetaldehyde.
What is the SMILES notation for (Z)-N,2-dimethoxyethanimine;2-methoxyacetaldehyde?
The canonical SMILES for (Z)-N,2-dimethoxyethanimine;2-methoxyacetaldehyde is COC/C=N\OC.COCC=O.
What is the InChIKey of (Z)-N,2-dimethoxyethanimine;2-methoxyacetaldehyde?
The InChIKey is UIZQHZGTFGIHJZ-FBZPGIPVSA-N. The full InChI is InChI=1S/C4H9NO2.C3H6O2/c1-6-4-3-5-7-2;1-5-3-2-4/h3H,4H2,1-2H3;2H,3H2,1H3/b5-3-;.
What are the key properties of (Z)-N,2-dimethoxyethanimine;2-methoxyacetaldehyde?
(Z)-N,2-dimethoxyethanimine;2-methoxyacetaldehyde has a molecular weight of 177.20 g/mol, XLogP of 0.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,2-dimethoxyethanimine;2-methoxyacetaldehyde is sourced from PubChem (CID 54355769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).