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

C14H11NO3 — CID 168526590

IUPAC1-[3-(furan-2-yl)phenyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1cccc(-c2ccco2)c1
InChIInChI=1S/C14H11NO3/c16-13-6-7-14(17)15(13)11-4-1-3-10(9-11)12-5-2-8-18-12/h1-5,8-9H,6-7H2
InChIKeyNZWAPROKSSSXPL-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.60
Rot. Bonds2

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

1-[3-(furan-2-yl)phenyl]pyrrolidine-2,5-dione (PubChem CID 168526590) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-[3-(furan-2-yl)phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-(furan-2-yl)phenyl]pyrrolidine-2,5-dione
PubChem CID168526590
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name1-[3-(furan-2-yl)phenyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1cccc(-c2ccco2)c1
InChIInChI=1S/C14H11NO3/c16-13-6-7-14(17)15(13)11-4-1-3-10(9-11)12-5-2-8-18-12/h1-5,8-9H,6-7H2
InChIKeyNZWAPROKSSSXPL-UHFFFAOYSA-N
XLogP2.60
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(furan-2-yl)phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-(furan-2-yl)phenyl]pyrrolidine-2,5-dione (CID 168526590) is 1-[3-(furan-2-yl)phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-(furan-2-yl)phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-(furan-2-yl)phenyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1c1cccc(-c2ccco2)c1.
What is the InChIKey of 1-[3-(furan-2-yl)phenyl]pyrrolidine-2,5-dione?
The InChIKey is NZWAPROKSSSXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c16-13-6-7-14(17)15(13)11-4-1-3-10(9-11)12-5-2-8-18-12/h1-5,8-9H,6-7H2.
What are the key properties of 1-[3-(furan-2-yl)phenyl]pyrrolidine-2,5-dione?
1-[3-(furan-2-yl)phenyl]pyrrolidine-2,5-dione has a molecular weight of 241.25 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-yl)phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 168526590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).