methanimine;oxalic acid

C4H8N2O4 — CID 174274665

IUPACmethanimine;oxalic acid
SMILESO=C(O)C(=O)O.[H]N=C.[H]N=C
InChIInChI=1S/C2H2O4.2CH3N/c3-1(4)2(5)6;2*1-2/h(H,3,4)(H,5,6);2*2H,1H2
InChIKeyIAKBXBYRABBGJG-UHFFFAOYSA-N
MW148.12 g/mol
LogP-0.31
Rot. Bonds

About methanimine;oxalic acid

methanimine;oxalic acid (PubChem CID 174274665) has the molecular formula C4H8N2O4 and a molecular weight of 148.12 g/mol. Its IUPAC name is methanimine;oxalic acid.

Molecular Properties

Compound Namemethanimine;oxalic acid
PubChem CID174274665
Molecular FormulaC4H8N2O4
Molecular Weight148.12 g/mol
Exact Mass148.05
IUPAC Namemethanimine;oxalic acid
SMILESO=C(O)C(=O)O.[H]N=C.[H]N=C
InChIInChI=1S/C2H2O4.2CH3N/c3-1(4)2(5)6;2*1-2/h(H,3,4)(H,5,6);2*2H,1H2
InChIKeyIAKBXBYRABBGJG-UHFFFAOYSA-N
XLogP-0.31
TPSA122.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

magnesium oxalic acid
CID 54611841
oxalic acid;trihydrochloride
CID 140553783
californium;oxalic acid
CID 87427078
oxalic acid;hydrochloride
CID 173369286
oxalic acid;thorium
CID 25199595
europium;oxalic acid
CID 90472147
lithium;oxalic acid;chloride
CID 175547992
azane;oxalic acid;dihydrate
CID 173006602
oxalic acid;zirconium;hydrate
CID 91886498
indigane;λ2-stannane;oxalic acid
CID 175366280
oxalic acid;yttrium;tetrahydrate
CID 173039711
oxalic acid;zinc;hydrate
CID 71311498

Frequently Asked Questions

What is the IUPAC name of methanimine;oxalic acid?
The IUPAC name of methanimine;oxalic acid (CID 174274665) is methanimine;oxalic acid.
What is the SMILES notation for methanimine;oxalic acid?
The canonical SMILES for methanimine;oxalic acid is O=C(O)C(=O)O.[H]N=C.[H]N=C.
What is the InChIKey of methanimine;oxalic acid?
The InChIKey is IAKBXBYRABBGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O4.2CH3N/c3-1(4)2(5)6;2*1-2/h(H,3,4)(H,5,6);2*2H,1H2.
What are the key properties of methanimine;oxalic acid?
methanimine;oxalic acid has a molecular weight of 148.12 g/mol, XLogP of -0.31, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanimine;oxalic acid is sourced from PubChem (CID 174274665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).