(2E)-2-(methoxymethylimino)acetaldehyde

C4H7NO2 — CID 21348790

IUPAC(2E)-2-(methoxymethylimino)acetaldehyde
SMILESCOC/N=C/C=O
InChIInChI=1S/C4H7NO2/c1-7-4-5-2-3-6/h2-3H,4H2,1H3/b5-2+
InChIKeyUERVMTCRSKADFC-GORDUTHDSA-N
MW101.10 g/mol
LogP-0.14
Rot. Bonds3

About (2E)-2-(methoxymethylimino)acetaldehyde

(2E)-2-(methoxymethylimino)acetaldehyde (PubChem CID 21348790) has the molecular formula C4H7NO2 and a molecular weight of 101.10 g/mol. Its IUPAC name is (2E)-2-(methoxymethylimino)acetaldehyde.

Molecular Properties

Compound Name(2E)-2-(methoxymethylimino)acetaldehyde
PubChem CID21348790
Molecular FormulaC4H7NO2
Molecular Weight101.10 g/mol
Exact Mass101.05
IUPAC Name(2E)-2-(methoxymethylimino)acetaldehyde
SMILESCOC/N=C/C=O
InChIInChI=1S/C4H7NO2/c1-7-4-5-2-3-6/h2-3H,4H2,1H3/b5-2+
InChIKeyUERVMTCRSKADFC-GORDUTHDSA-N
XLogP-0.14
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.10
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(methoxymethylimino)acetaldehyde?
The IUPAC name of (2E)-2-(methoxymethylimino)acetaldehyde (CID 21348790) is (2E)-2-(methoxymethylimino)acetaldehyde.
What is the SMILES notation for (2E)-2-(methoxymethylimino)acetaldehyde?
The canonical SMILES for (2E)-2-(methoxymethylimino)acetaldehyde is COC/N=C/C=O.
What is the InChIKey of (2E)-2-(methoxymethylimino)acetaldehyde?
The InChIKey is UERVMTCRSKADFC-GORDUTHDSA-N. The full InChI is InChI=1S/C4H7NO2/c1-7-4-5-2-3-6/h2-3H,4H2,1H3/b5-2+.
What are the key properties of (2E)-2-(methoxymethylimino)acetaldehyde?
(2E)-2-(methoxymethylimino)acetaldehyde has a molecular weight of 101.10 g/mol, XLogP of -0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(methoxymethylimino)acetaldehyde is sourced from PubChem (CID 21348790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).