oxalic acid;bis(pyrrolidine-2,5-dione)

C10H12N2O8 — CID 175829217

IUPACoxalic acid;bis(pyrrolidine-2,5-dione)
SMILESO=C(O)C(=O)O.O=C1CCC(=O)N1.O=C1CCC(=O)N1
InChIInChI=1S/2C4H5NO2.C2H2O4/c2*6-3-1-2-4(7)5-3;3-1(4)2(5)6/h2*1-2H2,(H,5,6,7);(H,3,4)(H,5,6)
InChIKeyQMEIWKKSSNAACP-UHFFFAOYSA-N
MW288.21 g/mol
LogP-2.00
Rot. Bonds

About oxalic acid;bis(pyrrolidine-2,5-dione)

oxalic acid;bis(pyrrolidine-2,5-dione) (PubChem CID 175829217) has the molecular formula C10H12N2O8 and a molecular weight of 288.21 g/mol. Its IUPAC name is oxalic acid;bis(pyrrolidine-2,5-dione).

Molecular Properties

Compound Nameoxalic acid;bis(pyrrolidine-2,5-dione)
PubChem CID175829217
Molecular FormulaC10H12N2O8
Molecular Weight288.21 g/mol
Exact Mass288.06
IUPAC Nameoxalic acid;bis(pyrrolidine-2,5-dione)
SMILESO=C(O)C(=O)O.O=C1CCC(=O)N1.O=C1CCC(=O)N1
InChIInChI=1S/2C4H5NO2.C2H2O4/c2*6-3-1-2-4(7)5-3;3-1(4)2(5)6/h2*1-2H2,(H,5,6,7);(H,3,4)(H,5,6)
InChIKeyQMEIWKKSSNAACP-UHFFFAOYSA-N
XLogP-2.00
TPSA166.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 5-2.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

oxalic acid;pyrrolidine-2,5-dione
CID 19913999
CID 70395227
CID 70395227
hydron;pyrrolidine-2,5-dione
CID 174652792
CID 157384744
CID 157384744
pyrrolidine-2,5-dione;sulfanylidenemolybdenum
CID 158754348
2-methylprop-1-ene;pyrrolidine-2,5-dione
CID 22145183
butanediamide;pyrrolidine-2,5-dione
CID 22719144
4-fluorobenzoic acid;pyrrolidine-2,5-dione
CID 174629603
(E)-3-methoxyprop-2-enoic acid;pyrrolidine-2,5-dione
CID 122469837
piperidine-2,6-dione;prop-2-enoic acid
CID 69098530
acetic acid;5,5-dimethylazocane-2,8-dione
CID 175986885
dimethylsulfanium;pyrrolidine-2,5-dione;chloride
CID 22025404

Frequently Asked Questions

What is the IUPAC name of oxalic acid;bis(pyrrolidine-2,5-dione)?
The IUPAC name of oxalic acid;bis(pyrrolidine-2,5-dione) (CID 175829217) is oxalic acid;bis(pyrrolidine-2,5-dione).
What is the SMILES notation for oxalic acid;bis(pyrrolidine-2,5-dione)?
The canonical SMILES for oxalic acid;bis(pyrrolidine-2,5-dione) is O=C(O)C(=O)O.O=C1CCC(=O)N1.O=C1CCC(=O)N1.
What is the InChIKey of oxalic acid;bis(pyrrolidine-2,5-dione)?
The InChIKey is QMEIWKKSSNAACP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H5NO2.C2H2O4/c2*6-3-1-2-4(7)5-3;3-1(4)2(5)6/h2*1-2H2,(H,5,6,7);(H,3,4)(H,5,6).
What are the key properties of oxalic acid;bis(pyrrolidine-2,5-dione)?
oxalic acid;bis(pyrrolidine-2,5-dione) has a molecular weight of 288.21 g/mol, XLogP of -2.00, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;bis(pyrrolidine-2,5-dione) is sourced from PubChem (CID 175829217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).