acetaldehyde;2-ethyliminoacetaldehyde

C6H11NO2 — CID 91614074

IUPACacetaldehyde;2-ethyliminoacetaldehyde
SMILESCC/N=C/C=O.CC=O
InChIInChI=1S/C4H7NO.C2H4O/c1-2-5-3-4-6;1-2-3/h3-4H,2H2,1H3;2H,1H3/b5-3+;
InChIKeyGMFWBQLKUNBFOF-WGCWOXMQSA-N
MW129.16 g/mol
LogP0.48
Rot. Bonds2

About acetaldehyde;2-ethyliminoacetaldehyde

acetaldehyde;2-ethyliminoacetaldehyde (PubChem CID 91614074) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is acetaldehyde;2-ethyliminoacetaldehyde.

Molecular Properties

Compound Nameacetaldehyde;2-ethyliminoacetaldehyde
PubChem CID91614074
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Nameacetaldehyde;2-ethyliminoacetaldehyde
SMILESCC/N=C/C=O.CC=O
InChIInChI=1S/C4H7NO.C2H4O/c1-2-5-3-4-6;1-2-3/h3-4H,2H2,1H3;2H,1H3/b5-3+;
InChIKeyGMFWBQLKUNBFOF-WGCWOXMQSA-N
XLogP0.48
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.48
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 acetaldehyde;2-ethyliminoacetaldehyde?
The IUPAC name of acetaldehyde;2-ethyliminoacetaldehyde (CID 91614074) is acetaldehyde;2-ethyliminoacetaldehyde.
What is the SMILES notation for acetaldehyde;2-ethyliminoacetaldehyde?
The canonical SMILES for acetaldehyde;2-ethyliminoacetaldehyde is CC/N=C/C=O.CC=O.
What is the InChIKey of acetaldehyde;2-ethyliminoacetaldehyde?
The InChIKey is GMFWBQLKUNBFOF-WGCWOXMQSA-N. The full InChI is InChI=1S/C4H7NO.C2H4O/c1-2-5-3-4-6;1-2-3/h3-4H,2H2,1H3;2H,1H3/b5-3+;.
What are the key properties of acetaldehyde;2-ethyliminoacetaldehyde?
acetaldehyde;2-ethyliminoacetaldehyde has a molecular weight of 129.16 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;2-ethyliminoacetaldehyde is sourced from PubChem (CID 91614074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).