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

C12H9NO6 — CID 90081316

IUPAC1-[5-(furan-2-yl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1oc(-c2ccco2)c(O)c1O
InChIInChI=1S/C12H9NO6/c14-7-3-4-8(15)13(7)12-10(17)9(16)11(19-12)6-2-1-5-18-6/h1-2,5,16-17H,3-4H2
InChIKeyWKERADWSSNMYBV-UHFFFAOYSA-N
MW263.20 g/mol
LogP1.60
Rot. Bonds2

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

1-[5-(furan-2-yl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione (PubChem CID 90081316) has the molecular formula C12H9NO6 and a molecular weight of 263.20 g/mol. Its IUPAC name is 1-[5-(furan-2-yl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[5-(furan-2-yl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione
PubChem CID90081316
Molecular FormulaC12H9NO6
Molecular Weight263.20 g/mol
Exact Mass263.04
IUPAC Name1-[5-(furan-2-yl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1oc(-c2ccco2)c(O)c1O
InChIInChI=1S/C12H9NO6/c14-7-3-4-8(15)13(7)12-10(17)9(16)11(19-12)6-2-1-5-18-6/h1-2,5,16-17H,3-4H2
InChIKeyWKERADWSSNMYBV-UHFFFAOYSA-N
XLogP1.60
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
LogP ≤ 51.60
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-[5-(furan-2-yl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[5-(furan-2-yl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione (CID 90081316) is 1-[5-(furan-2-yl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[5-(furan-2-yl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[5-(furan-2-yl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1c1oc(-c2ccco2)c(O)c1O.
What is the InChIKey of 1-[5-(furan-2-yl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione?
The InChIKey is WKERADWSSNMYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO6/c14-7-3-4-8(15)13(7)12-10(17)9(16)11(19-12)6-2-1-5-18-6/h1-2,5,16-17H,3-4H2.
What are the key properties of 1-[5-(furan-2-yl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione?
1-[5-(furan-2-yl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione has a molecular weight of 263.20 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(furan-2-yl)-3,4-dihydroxyfuran-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 90081316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).