methanediimine;oxaldehyde

C3H4N2O2 — CID 175329130

IUPACmethanediimine;oxaldehyde
SMILESN=C=N.O=CC=O
InChIInChI=1S/C2H2O2.CH2N2/c3-1-2-4;2-1-3/h1-2H;2-3H
InChIKeyOGXPDJLYVDCIKO-UHFFFAOYSA-N
MW100.08 g/mol
LogP-0.30
Rot. Bonds1

About methanediimine;oxaldehyde

methanediimine;oxaldehyde (PubChem CID 175329130) has the molecular formula C3H4N2O2 and a molecular weight of 100.08 g/mol. Its IUPAC name is methanediimine;oxaldehyde.

Molecular Properties

Compound Namemethanediimine;oxaldehyde
PubChem CID175329130
Molecular FormulaC3H4N2O2
Molecular Weight100.08 g/mol
Exact Mass100.03
IUPAC Namemethanediimine;oxaldehyde
SMILESN=C=N.O=CC=O
InChIInChI=1S/C2H2O2.CH2N2/c3-1-2-4;2-1-3/h1-2H;2-3H
InChIKeyOGXPDJLYVDCIKO-UHFFFAOYSA-N
XLogP-0.30
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.08
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

λ2-plumbane;oxaldehyde
CID 173386831
oxaldehyde;trihydrate
CID 173057589
methanediimine
CID 161145332
methanediimine;sulfur monoxide
CID 173434188
isocyanic acid;lanthanum
CID 160896504
methanediimine;zirconium
CID 175955107
potassium;methanediimine;hydroxide
CID 174948340
aluminum;methanediimine;triiodide
CID 174884047
isocyanic acid;methyl formate
CID 158339067
CID 20524603
CID 20524603
methylsulfinylmethane;oxaldehyde
CID 22743546
butane;oxaldehyde
CID 87585246

Frequently Asked Questions

What is the IUPAC name of methanediimine;oxaldehyde?
The IUPAC name of methanediimine;oxaldehyde (CID 175329130) is methanediimine;oxaldehyde.
What is the SMILES notation for methanediimine;oxaldehyde?
The canonical SMILES for methanediimine;oxaldehyde is N=C=N.O=CC=O.
What is the InChIKey of methanediimine;oxaldehyde?
The InChIKey is OGXPDJLYVDCIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O2.CH2N2/c3-1-2-4;2-1-3/h1-2H;2-3H.
What are the key properties of methanediimine;oxaldehyde?
methanediimine;oxaldehyde has a molecular weight of 100.08 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanediimine;oxaldehyde is sourced from PubChem (CID 175329130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).