(E)-N-ethoxy-1-(oxiran-2-yl)methanimine

C5H9NO2 — CID 10351675

IUPAC(E)-N-ethoxy-1-(oxiran-2-yl)methanimine
SMILESCCO/N=C/C1CO1
InChIInChI=1S/C5H9NO2/c1-2-8-6-3-5-4-7-5/h3,5H,2,4H2,1H3/b6-3+
InChIKeyYGMUPEBCOVYWAC-ZZXKWVIFSA-N
MW115.13 g/mol
LogP0.41
Rot. Bonds3

About (E)-N-ethoxy-1-(oxiran-2-yl)methanimine

(E)-N-ethoxy-1-(oxiran-2-yl)methanimine (PubChem CID 10351675) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (E)-N-ethoxy-1-(oxiran-2-yl)methanimine.

Molecular Properties

Compound Name(E)-N-ethoxy-1-(oxiran-2-yl)methanimine
PubChem CID10351675
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(E)-N-ethoxy-1-(oxiran-2-yl)methanimine
SMILESCCO/N=C/C1CO1
InChIInChI=1S/C5H9NO2/c1-2-8-6-3-5-4-7-5/h3,5H,2,4H2,1H3/b6-3+
InChIKeyYGMUPEBCOVYWAC-ZZXKWVIFSA-N
XLogP0.41
TPSA34.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.41
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-dioxolan-4-yl)-N-ethoxymethanimine
CID 151840617
(Z)-N-ethoxyethanimine
CID 5466565
4-ethenyl-2-ethoxy-1,3-dioxolane
CID 22891802
(Z)-N-ethoxy-2,2-dimethylpropan-1-imine
CID 58714329
3-[1-[1-(oxetan-3-yl)propylperoxy]propyl]oxetane
CID 175374281
ethoxy-methyl-(oxiran-2-yl)alumane
CID 58833483
3,4-diethoxyoxolane
CID 14307969
N-ethoxyoxan-4-imine
CID 90826046
(Z)-1-[1-(3,4-dimethylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-ethoxymethanimine
CID 129018704
2-butan-2-yl-4-ethenyl-1,3-dioxolane
CID 71471387
2-(ethylperoxymethyl)oxirane
CID 134589509
(3R,3aR,6R,6aS)-3,6-diethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 163360489

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethoxy-1-(oxiran-2-yl)methanimine?
The IUPAC name of (E)-N-ethoxy-1-(oxiran-2-yl)methanimine (CID 10351675) is (E)-N-ethoxy-1-(oxiran-2-yl)methanimine.
What is the SMILES notation for (E)-N-ethoxy-1-(oxiran-2-yl)methanimine?
The canonical SMILES for (E)-N-ethoxy-1-(oxiran-2-yl)methanimine is CCO/N=C/C1CO1.
What is the InChIKey of (E)-N-ethoxy-1-(oxiran-2-yl)methanimine?
The InChIKey is YGMUPEBCOVYWAC-ZZXKWVIFSA-N. The full InChI is InChI=1S/C5H9NO2/c1-2-8-6-3-5-4-7-5/h3,5H,2,4H2,1H3/b6-3+.
What are the key properties of (E)-N-ethoxy-1-(oxiran-2-yl)methanimine?
(E)-N-ethoxy-1-(oxiran-2-yl)methanimine has a molecular weight of 115.13 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethoxy-1-(oxiran-2-yl)methanimine is sourced from PubChem (CID 10351675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).