2-methoxyiminoethanamine

C3H8N2O — CID 54099556

IUPAC2-methoxyiminoethanamine
SMILESCON=CCN
InChIInChI=1S/C3H8N2O/c1-6-5-3-2-4/h3H,2,4H2,1H3
InChIKeyMZPFDEKDPJUGHH-UHFFFAOYSA-N
MW88.11 g/mol
LogP-0.42
Rot. Bonds2

About 2-methoxyiminoethanamine

2-methoxyiminoethanamine (PubChem CID 54099556) has the molecular formula C3H8N2O and a molecular weight of 88.11 g/mol. Its IUPAC name is 2-methoxyiminoethanamine.

Molecular Properties

Compound Name2-methoxyiminoethanamine
PubChem CID54099556
Molecular FormulaC3H8N2O
Molecular Weight88.11 g/mol
Exact Mass88.06
IUPAC Name2-methoxyiminoethanamine
SMILESCON=CCN
InChIInChI=1S/C3H8N2O/c1-6-5-3-2-4/h3H,2,4H2,1H3
InChIKeyMZPFDEKDPJUGHH-UHFFFAOYSA-N
XLogP-0.42
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyiminoethanamine?
The IUPAC name of 2-methoxyiminoethanamine (CID 54099556) is 2-methoxyiminoethanamine.
What is the SMILES notation for 2-methoxyiminoethanamine?
The canonical SMILES for 2-methoxyiminoethanamine is CON=CCN.
What is the InChIKey of 2-methoxyiminoethanamine?
The InChIKey is MZPFDEKDPJUGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O/c1-6-5-3-2-4/h3H,2,4H2,1H3.
What are the key properties of 2-methoxyiminoethanamine?
2-methoxyiminoethanamine has a molecular weight of 88.11 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyiminoethanamine is sourced from PubChem (CID 54099556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).