3-methyl-3-(5-methylfuran-2-yl)pyrrolidine-2,5-dione

C10H11NO3 — CID 43155319

IUPAC3-methyl-3-(5-methylfuran-2-yl)pyrrolidine-2,5-dione
SMILESCc1ccc(C2(C)CC(=O)NC2=O)o1
InChIInChI=1S/C10H11NO3/c1-6-3-4-7(14-6)10(2)5-8(12)11-9(10)13/h3-4H,5H2,1-2H3,(H,11,12,13)
InChIKeyWDUHOBBAKJXMLC-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.89
Rot. Bonds1

About 3-methyl-3-(5-methylfuran-2-yl)pyrrolidine-2,5-dione

3-methyl-3-(5-methylfuran-2-yl)pyrrolidine-2,5-dione (PubChem CID 43155319) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 3-methyl-3-(5-methylfuran-2-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-3-(5-methylfuran-2-yl)pyrrolidine-2,5-dione
PubChem CID43155319
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name3-methyl-3-(5-methylfuran-2-yl)pyrrolidine-2,5-dione
SMILESCc1ccc(C2(C)CC(=O)NC2=O)o1
InChIInChI=1S/C10H11NO3/c1-6-3-4-7(14-6)10(2)5-8(12)11-9(10)13/h3-4H,5H2,1-2H3,(H,11,12,13)
InChIKeyWDUHOBBAKJXMLC-UHFFFAOYSA-N
XLogP0.89
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.89
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-methyl-3-(5-methylfuran-2-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-3-(5-methylfuran-2-yl)pyrrolidine-2,5-dione (CID 43155319) is 3-methyl-3-(5-methylfuran-2-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-3-(5-methylfuran-2-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-3-(5-methylfuran-2-yl)pyrrolidine-2,5-dione is Cc1ccc(C2(C)CC(=O)NC2=O)o1.
What is the InChIKey of 3-methyl-3-(5-methylfuran-2-yl)pyrrolidine-2,5-dione?
The InChIKey is WDUHOBBAKJXMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-6-3-4-7(14-6)10(2)5-8(12)11-9(10)13/h3-4H,5H2,1-2H3,(H,11,12,13).
What are the key properties of 3-methyl-3-(5-methylfuran-2-yl)pyrrolidine-2,5-dione?
3-methyl-3-(5-methylfuran-2-yl)pyrrolidine-2,5-dione has a molecular weight of 193.20 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(5-methylfuran-2-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 43155319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).