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

C10H12N2O4 — CID 70577448

IUPACethane;bis(pyrrole-2,5-dione)
SMILESCC.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1
InChIInChI=1S/2C4H3NO2.C2H6/c2*6-3-1-2-4(7)5-3;1-2/h2*1-2H,(H,5,6,7);1-2H3
InChIKeyUUWWOYUYVPJEJM-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.58
Rot. Bonds

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

ethane;bis(pyrrole-2,5-dione) (PubChem CID 70577448) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is ethane;bis(pyrrole-2,5-dione).

Molecular Properties

Compound Nameethane;bis(pyrrole-2,5-dione)
PubChem CID70577448
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Nameethane;bis(pyrrole-2,5-dione)
SMILESCC.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1
InChIInChI=1S/2C4H3NO2.C2H6/c2*6-3-1-2-4(7)5-3;1-2/h2*1-2H,(H,5,6,7);1-2H3
InChIKeyUUWWOYUYVPJEJM-UHFFFAOYSA-N
XLogP-0.58
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.58
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 ethane;bis(pyrrole-2,5-dione)?
The IUPAC name of ethane;bis(pyrrole-2,5-dione) (CID 70577448) is ethane;bis(pyrrole-2,5-dione).
What is the SMILES notation for ethane;bis(pyrrole-2,5-dione)?
The canonical SMILES for ethane;bis(pyrrole-2,5-dione) is CC.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1.
What is the InChIKey of ethane;bis(pyrrole-2,5-dione)?
The InChIKey is UUWWOYUYVPJEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H3NO2.C2H6/c2*6-3-1-2-4(7)5-3;1-2/h2*1-2H,(H,5,6,7);1-2H3.
What are the key properties of ethane;bis(pyrrole-2,5-dione)?
ethane;bis(pyrrole-2,5-dione) has a molecular weight of 224.22 g/mol, XLogP of -0.58, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(pyrrole-2,5-dione) is sourced from PubChem (CID 70577448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).