N-methoxymethanimine

C2H5NO — CID 12869424

IUPACN-methoxymethanimine
SMILESC=NOC
InChIInChI=1S/C2H5NO/c1-3-4-2/h1H2,2H3
InChIKeyKQBWUPMFKBDNJJ-UHFFFAOYSA-N
MW59.07 g/mol
LogP0.25
Rot. Bonds1

About N-methoxymethanimine

N-methoxymethanimine (PubChem CID 12869424) has the molecular formula C2H5NO and a molecular weight of 59.07 g/mol. Its IUPAC name is N-methoxymethanimine.

Molecular Properties

Compound NameN-methoxymethanimine
PubChem CID12869424
Molecular FormulaC2H5NO
Molecular Weight59.07 g/mol
Exact Mass59.04
IUPAC NameN-methoxymethanimine
SMILESC=NOC
InChIInChI=1S/C2H5NO/c1-3-4-2/h1H2,2H3
InChIKeyKQBWUPMFKBDNJJ-UHFFFAOYSA-N
XLogP0.25
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50059.07
LogP ≤ 50.25
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 N-methoxymethanimine?
The IUPAC name of N-methoxymethanimine (CID 12869424) is N-methoxymethanimine.
What is the SMILES notation for N-methoxymethanimine?
The canonical SMILES for N-methoxymethanimine is C=NOC.
What is the InChIKey of N-methoxymethanimine?
The InChIKey is KQBWUPMFKBDNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO/c1-3-4-2/h1H2,2H3.
What are the key properties of N-methoxymethanimine?
N-methoxymethanimine has a molecular weight of 59.07 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxymethanimine is sourced from PubChem (CID 12869424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).