1-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]pyrrolidine-2,5-dione

C15H13NO6 — CID 90080924

IUPAC1-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]pyrrolidine-2,5-dione
SMILESCOc1ccc(-c2oc(N3C(=O)CCC3=O)c(O)c2O)cc1
InChIInChI=1S/C15H13NO6/c1-21-9-4-2-8(3-5-9)14-12(19)13(20)15(22-14)16-10(17)6-7-11(16)18/h2-5,19-20H,6-7H2,1H3
InChIKeyCJQDVZZADKQGPT-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.02
Rot. Bonds3

About 1-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]pyrrolidine-2,5-dione

1-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]pyrrolidine-2,5-dione (PubChem CID 90080924) has the molecular formula C15H13NO6 and a molecular weight of 303.27 g/mol. Its IUPAC name is 1-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]pyrrolidine-2,5-dione
PubChem CID90080924
Molecular FormulaC15H13NO6
Molecular Weight303.27 g/mol
Exact Mass303.07
IUPAC Name1-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]pyrrolidine-2,5-dione
SMILESCOc1ccc(-c2oc(N3C(=O)CCC3=O)c(O)c2O)cc1
InChIInChI=1S/C15H13NO6/c1-21-9-4-2-8(3-5-9)14-12(19)13(20)15(22-14)16-10(17)6-7-11(16)18/h2-5,19-20H,6-7H2,1H3
InChIKeyCJQDVZZADKQGPT-UHFFFAOYSA-N
XLogP2.02
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]pyrrolidine-2,5-dione (CID 90080924) is 1-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]pyrrolidine-2,5-dione is COc1ccc(-c2oc(N3C(=O)CCC3=O)c(O)c2O)cc1.
What is the InChIKey of 1-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]pyrrolidine-2,5-dione?
The InChIKey is CJQDVZZADKQGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO6/c1-21-9-4-2-8(3-5-9)14-12(19)13(20)15(22-14)16-10(17)6-7-11(16)18/h2-5,19-20H,6-7H2,1H3.
What are the key properties of 1-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]pyrrolidine-2,5-dione?
1-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]pyrrolidine-2,5-dione has a molecular weight of 303.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4-dihydroxy-5-(4-methoxyphenyl)furan-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 90080924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).