3-(furan-2-yl)-3-methylpyrrolidine-2,5-dione

C9H9NO3 — CID 43155328

IUPAC3-(furan-2-yl)-3-methylpyrrolidine-2,5-dione
SMILESCC1(c2ccco2)CC(=O)NC1=O
InChIInChI=1S/C9H9NO3/c1-9(6-3-2-4-13-6)5-7(11)10-8(9)12/h2-4H,5H2,1H3,(H,10,11,12)
InChIKeyDBNMWFZFEVQUKK-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.58
Rot. Bonds1

About 3-(furan-2-yl)-3-methylpyrrolidine-2,5-dione

3-(furan-2-yl)-3-methylpyrrolidine-2,5-dione (PubChem CID 43155328) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 3-(furan-2-yl)-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(furan-2-yl)-3-methylpyrrolidine-2,5-dione
PubChem CID43155328
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name3-(furan-2-yl)-3-methylpyrrolidine-2,5-dione
SMILESCC1(c2ccco2)CC(=O)NC1=O
InChIInChI=1S/C9H9NO3/c1-9(6-3-2-4-13-6)5-7(11)10-8(9)12/h2-4H,5H2,1H3,(H,10,11,12)
InChIKeyDBNMWFZFEVQUKK-UHFFFAOYSA-N
XLogP0.58
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.58
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-(furan-2-yl)-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(furan-2-yl)-3-methylpyrrolidine-2,5-dione (CID 43155328) is 3-(furan-2-yl)-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(furan-2-yl)-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(furan-2-yl)-3-methylpyrrolidine-2,5-dione is CC1(c2ccco2)CC(=O)NC1=O.
What is the InChIKey of 3-(furan-2-yl)-3-methylpyrrolidine-2,5-dione?
The InChIKey is DBNMWFZFEVQUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-9(6-3-2-4-13-6)5-7(11)10-8(9)12/h2-4H,5H2,1H3,(H,10,11,12).
What are the key properties of 3-(furan-2-yl)-3-methylpyrrolidine-2,5-dione?
3-(furan-2-yl)-3-methylpyrrolidine-2,5-dione has a molecular weight of 179.17 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 43155328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).