(Z)-N-ethoxyethanimine

C4H9NO — CID 5466565

IUPAC(Z)-N-ethoxyethanimine
SMILESC/C=N\OCC
InChIInChI=1S/C4H9NO/c1-3-5-6-4-2/h3H,4H2,1-2H3/b5-3-
InChIKeyCXBUEUVHLAPEIB-HYXAFXHYSA-N
MW87.12 g/mol
LogP1.03
Rot. Bonds2

About (Z)-N-ethoxyethanimine

(Z)-N-ethoxyethanimine (PubChem CID 5466565) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is (Z)-N-ethoxyethanimine.

Molecular Properties

Compound Name(Z)-N-ethoxyethanimine
PubChem CID5466565
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name(Z)-N-ethoxyethanimine
SMILESC/C=N\OCC
InChIInChI=1S/C4H9NO/c1-3-5-6-4-2/h3H,4H2,1-2H3/b5-3-
InChIKeyCXBUEUVHLAPEIB-HYXAFXHYSA-N
XLogP1.03
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 51.03
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-ethoxyethanimine?
The IUPAC name of (Z)-N-ethoxyethanimine (CID 5466565) is (Z)-N-ethoxyethanimine.
What is the SMILES notation for (Z)-N-ethoxyethanimine?
The canonical SMILES for (Z)-N-ethoxyethanimine is C/C=N\OCC.
What is the InChIKey of (Z)-N-ethoxyethanimine?
The InChIKey is CXBUEUVHLAPEIB-HYXAFXHYSA-N. The full InChI is InChI=1S/C4H9NO/c1-3-5-6-4-2/h3H,4H2,1-2H3/b5-3-.
What are the key properties of (Z)-N-ethoxyethanimine?
(Z)-N-ethoxyethanimine has a molecular weight of 87.12 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethoxyethanimine is sourced from PubChem (CID 5466565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).