furan-2,5-dione;3-methylpyrrole-2,5-dione

C9H7NO5 — CID 161296251

IUPACfuran-2,5-dione;3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)NC1=O.O=C1C=CC(=O)O1
InChIInChI=1S/C5H5NO2.C4H2O3/c1-3-2-4(7)6-5(3)8;5-3-1-2-4(6)7-3/h2H,1H3,(H,6,7,8);1-2H
InChIKeyVGZWPLLATCWYDM-UHFFFAOYSA-N
MW209.16 g/mol
LogP-0.78
Rot. Bonds

About furan-2,5-dione;3-methylpyrrole-2,5-dione

furan-2,5-dione;3-methylpyrrole-2,5-dione (PubChem CID 161296251) has the molecular formula C9H7NO5 and a molecular weight of 209.16 g/mol. Its IUPAC name is furan-2,5-dione;3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Namefuran-2,5-dione;3-methylpyrrole-2,5-dione
PubChem CID161296251
Molecular FormulaC9H7NO5
Molecular Weight209.16 g/mol
Exact Mass209.03
IUPAC Namefuran-2,5-dione;3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)NC1=O.O=C1C=CC(=O)O1
InChIInChI=1S/C5H5NO2.C4H2O3/c1-3-2-4(7)6-5(3)8;5-3-1-2-4(6)7-3/h2H,1H3,(H,6,7,8);1-2H
InChIKeyVGZWPLLATCWYDM-UHFFFAOYSA-N
XLogP-0.78
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of furan-2,5-dione;3-methylpyrrole-2,5-dione?
The IUPAC name of furan-2,5-dione;3-methylpyrrole-2,5-dione (CID 161296251) is furan-2,5-dione;3-methylpyrrole-2,5-dione.
What is the SMILES notation for furan-2,5-dione;3-methylpyrrole-2,5-dione?
The canonical SMILES for furan-2,5-dione;3-methylpyrrole-2,5-dione is CC1=CC(=O)NC1=O.O=C1C=CC(=O)O1.
What is the InChIKey of furan-2,5-dione;3-methylpyrrole-2,5-dione?
The InChIKey is VGZWPLLATCWYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2.C4H2O3/c1-3-2-4(7)6-5(3)8;5-3-1-2-4(6)7-3/h2H,1H3,(H,6,7,8);1-2H.
What are the key properties of furan-2,5-dione;3-methylpyrrole-2,5-dione?
furan-2,5-dione;3-methylpyrrole-2,5-dione has a molecular weight of 209.16 g/mol, XLogP of -0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2,5-dione;3-methylpyrrole-2,5-dione is sourced from PubChem (CID 161296251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).