N-methoxyethanimine

C3H7NO — CID 535486

IUPACN-methoxyethanimine
SMILESCC=NOC
InChIInChI=1S/C3H7NO/c1-3-4-5-2/h3H,1-2H3
InChIKeyKAAHHLOYOIUHHH-UHFFFAOYSA-N
MW73.09 g/mol
LogP0.64
Rot. Bonds1

About N-methoxyethanimine

N-methoxyethanimine (PubChem CID 535486) has the molecular formula C3H7NO and a molecular weight of 73.09 g/mol. Its IUPAC name is N-methoxyethanimine.

Molecular Properties

Compound NameN-methoxyethanimine
PubChem CID535486
Molecular FormulaC3H7NO
Molecular Weight73.09 g/mol
Exact Mass73.05
IUPAC NameN-methoxyethanimine
SMILESCC=NOC
InChIInChI=1S/C3H7NO/c1-3-4-5-2/h3H,1-2H3
InChIKeyKAAHHLOYOIUHHH-UHFFFAOYSA-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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Related Compounds

Aldoxime
CID 7863
Acetaldehyde oxime, (1E)-
CID 5324279
(Z)-acetaldehyde oxime
CID 5324280
Acetaldehyde O-methyl oxime
CID 9601394
(Z)-N-methoxyethanimine
CID 5362947
N-(fluoromethoxy)ethanimine
CID 53979943
(E)-2-fluoro-N-methoxyethanimine
CID 173813537
(Ethylideneamino) hypofluorite
CID 174605891
(NZ)-N-(1-deuterioethylidene)hydroxylamine
CID 134886249
CID 164668080
CID 164668080
CID 13311598
CID 13311598
CID 14387232
CID 14387232

Frequently Asked Questions

What is the IUPAC name of N-methoxyethanimine?
The IUPAC name of N-methoxyethanimine (CID 535486) is N-methoxyethanimine.
What is the SMILES notation for N-methoxyethanimine?
The canonical SMILES for N-methoxyethanimine is CC=NOC.
What is the InChIKey of N-methoxyethanimine?
The InChIKey is KAAHHLOYOIUHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO/c1-3-4-5-2/h3H,1-2H3.
What are the key properties of N-methoxyethanimine?
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 N-methoxyethanimine is sourced from PubChem (CID 535486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).