3-ethyl-3-(furan-2-yl)pyrrolidine-2,5-dione

C10H11NO3 — CID 62631266

IUPAC3-ethyl-3-(furan-2-yl)pyrrolidine-2,5-dione
SMILESCCC1(c2ccco2)CC(=O)NC1=O
InChIInChI=1S/C10H11NO3/c1-2-10(7-4-3-5-14-7)6-8(12)11-9(10)13/h3-5H,2,6H2,1H3,(H,11,12,13)
InChIKeyFCAARTOVEBIHNG-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.97
Rot. Bonds2

About 3-ethyl-3-(furan-2-yl)pyrrolidine-2,5-dione

3-ethyl-3-(furan-2-yl)pyrrolidine-2,5-dione (PubChem CID 62631266) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 3-ethyl-3-(furan-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3-(furan-2-yl)pyrrolidine-2,5-dione
PubChem CID62631266
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name3-ethyl-3-(furan-2-yl)pyrrolidine-2,5-dione
SMILESCCC1(c2ccco2)CC(=O)NC1=O
InChIInChI=1S/C10H11NO3/c1-2-10(7-4-3-5-14-7)6-8(12)11-9(10)13/h3-5H,2,6H2,1H3,(H,11,12,13)
InChIKeyFCAARTOVEBIHNG-UHFFFAOYSA-N
XLogP0.97
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
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 3-ethyl-3-(furan-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-ethyl-3-(furan-2-yl)pyrrolidine-2,5-dione (CID 62631266) is 3-ethyl-3-(furan-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-ethyl-3-(furan-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-ethyl-3-(furan-2-yl)pyrrolidine-2,5-dione is CCC1(c2ccco2)CC(=O)NC1=O.
What is the InChIKey of 3-ethyl-3-(furan-2-yl)pyrrolidine-2,5-dione?
The InChIKey is FCAARTOVEBIHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-2-10(7-4-3-5-14-7)6-8(12)11-9(10)13/h3-5H,2,6H2,1H3,(H,11,12,13).
What are the key properties of 3-ethyl-3-(furan-2-yl)pyrrolidine-2,5-dione?
3-ethyl-3-(furan-2-yl)pyrrolidine-2,5-dione has a molecular weight of 193.20 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(furan-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 62631266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).