propane;bis(pyrrole-2,5-dione)

C11H14N2O4 — CID 160815445

IUPACpropane;bis(pyrrole-2,5-dione)
SMILESCCC.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1
InChIInChI=1S/2C4H3NO2.C3H8/c2*6-3-1-2-4(7)5-3;1-3-2/h2*1-2H,(H,5,6,7);3H2,1-2H3
InChIKeySEVNPMKAEISHJM-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.19
Rot. Bonds

About propane;bis(pyrrole-2,5-dione)

propane;bis(pyrrole-2,5-dione) (PubChem CID 160815445) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is propane;bis(pyrrole-2,5-dione).

Molecular Properties

Compound Namepropane;bis(pyrrole-2,5-dione)
PubChem CID160815445
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Namepropane;bis(pyrrole-2,5-dione)
SMILESCCC.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1
InChIInChI=1S/2C4H3NO2.C3H8/c2*6-3-1-2-4(7)5-3;1-3-2/h2*1-2H,(H,5,6,7);3H2,1-2H3
InChIKeySEVNPMKAEISHJM-UHFFFAOYSA-N
XLogP-0.19
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propane;bis(pyrrole-2,5-dione)?
The IUPAC name of propane;bis(pyrrole-2,5-dione) (CID 160815445) is propane;bis(pyrrole-2,5-dione).
What is the SMILES notation for propane;bis(pyrrole-2,5-dione)?
The canonical SMILES for propane;bis(pyrrole-2,5-dione) is CCC.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1.
What is the InChIKey of propane;bis(pyrrole-2,5-dione)?
The InChIKey is SEVNPMKAEISHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H3NO2.C3H8/c2*6-3-1-2-4(7)5-3;1-3-2/h2*1-2H,(H,5,6,7);3H2,1-2H3.
What are the key properties of propane;bis(pyrrole-2,5-dione)?
propane;bis(pyrrole-2,5-dione) has a molecular weight of 238.24 g/mol, XLogP of -0.19, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propane;bis(pyrrole-2,5-dione) is sourced from PubChem (CID 160815445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).