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

C11H16N2O6 — CID 159410204

IUPACpropanoic acid;bis(pyrrolidine-2,5-dione)
SMILESCCC(=O)O.O=C1CCC(=O)N1.O=C1CCC(=O)N1
InChIInChI=1S/2C4H5NO2.C3H6O2/c2*6-3-1-2-4(7)5-3;1-2-3(4)5/h2*1-2H2,(H,5,6,7);2H2,1H3,(H,4,5)
InChIKeyLOMDDDZUQIUBCB-UHFFFAOYSA-N
MW272.26 g/mol
LogP-0.67
Rot. Bonds1

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

propanoic acid;bis(pyrrolidine-2,5-dione) (PubChem CID 159410204) has the molecular formula C11H16N2O6 and a molecular weight of 272.26 g/mol. Its IUPAC name is propanoic acid;bis(pyrrolidine-2,5-dione).

Molecular Properties

Compound Namepropanoic acid;bis(pyrrolidine-2,5-dione)
PubChem CID159410204
Molecular FormulaC11H16N2O6
Molecular Weight272.26 g/mol
Exact Mass272.10
IUPAC Namepropanoic acid;bis(pyrrolidine-2,5-dione)
SMILESCCC(=O)O.O=C1CCC(=O)N1.O=C1CCC(=O)N1
InChIInChI=1S/2C4H5NO2.C3H6O2/c2*6-3-1-2-4(7)5-3;1-2-3(4)5/h2*1-2H2,(H,5,6,7);2H2,1H3,(H,4,5)
InChIKeyLOMDDDZUQIUBCB-UHFFFAOYSA-N
XLogP-0.67
TPSA129.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propanoic acid;bis(pyrrolidine-2,5-dione)?
The IUPAC name of propanoic acid;bis(pyrrolidine-2,5-dione) (CID 159410204) is propanoic acid;bis(pyrrolidine-2,5-dione).
What is the SMILES notation for propanoic acid;bis(pyrrolidine-2,5-dione)?
The canonical SMILES for propanoic acid;bis(pyrrolidine-2,5-dione) is CCC(=O)O.O=C1CCC(=O)N1.O=C1CCC(=O)N1.
What is the InChIKey of propanoic acid;bis(pyrrolidine-2,5-dione)?
The InChIKey is LOMDDDZUQIUBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H5NO2.C3H6O2/c2*6-3-1-2-4(7)5-3;1-2-3(4)5/h2*1-2H2,(H,5,6,7);2H2,1H3,(H,4,5).
What are the key properties of propanoic acid;bis(pyrrolidine-2,5-dione)?
propanoic acid;bis(pyrrolidine-2,5-dione) has a molecular weight of 272.26 g/mol, XLogP of -0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propanoic acid;bis(pyrrolidine-2,5-dione) is sourced from PubChem (CID 159410204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).