3-methylfuran-2,5-dione;1-phenylpyrrole-2,5-dione

C15H11NO5 — CID 174814777

IUPAC3-methylfuran-2,5-dione;1-phenylpyrrole-2,5-dione
SMILESCC1=CC(=O)OC1=O.O=C1C=CC(=O)N1c1ccccc1
InChIInChI=1S/C10H7NO2.C5H4O3/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;1-3-2-4(6)8-5(3)7/h1-7H;2H,1H3
InChIKeyQOCKZQGGNBVUHR-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.13
Rot. Bonds1

About 3-methylfuran-2,5-dione;1-phenylpyrrole-2,5-dione

3-methylfuran-2,5-dione;1-phenylpyrrole-2,5-dione (PubChem CID 174814777) has the molecular formula C15H11NO5 and a molecular weight of 285.26 g/mol. Its IUPAC name is 3-methylfuran-2,5-dione;1-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-methylfuran-2,5-dione;1-phenylpyrrole-2,5-dione
PubChem CID174814777
Molecular FormulaC15H11NO5
Molecular Weight285.26 g/mol
Exact Mass285.06
IUPAC Name3-methylfuran-2,5-dione;1-phenylpyrrole-2,5-dione
SMILESCC1=CC(=O)OC1=O.O=C1C=CC(=O)N1c1ccccc1
InChIInChI=1S/C10H7NO2.C5H4O3/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;1-3-2-4(6)8-5(3)7/h1-7H;2H,1H3
InChIKeyQOCKZQGGNBVUHR-UHFFFAOYSA-N
XLogP1.13
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.13
H-Bond Donors ≤ 50
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 3-methylfuran-2,5-dione;1-phenylpyrrole-2,5-dione?
The IUPAC name of 3-methylfuran-2,5-dione;1-phenylpyrrole-2,5-dione (CID 174814777) is 3-methylfuran-2,5-dione;1-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-methylfuran-2,5-dione;1-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-methylfuran-2,5-dione;1-phenylpyrrole-2,5-dione is CC1=CC(=O)OC1=O.O=C1C=CC(=O)N1c1ccccc1.
What is the InChIKey of 3-methylfuran-2,5-dione;1-phenylpyrrole-2,5-dione?
The InChIKey is QOCKZQGGNBVUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2.C5H4O3/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;1-3-2-4(6)8-5(3)7/h1-7H;2H,1H3.
What are the key properties of 3-methylfuran-2,5-dione;1-phenylpyrrole-2,5-dione?
3-methylfuran-2,5-dione;1-phenylpyrrole-2,5-dione has a molecular weight of 285.26 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylfuran-2,5-dione;1-phenylpyrrole-2,5-dione is sourced from PubChem (CID 174814777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).