4-(5-ethylfuran-2-yl)-5-methylpyrrolidin-2-one

C11H15NO2 — CID 66109139

IUPAC4-(5-ethylfuran-2-yl)-5-methylpyrrolidin-2-one
SMILESCCc1ccc(C2CC(=O)NC2C)o1
InChIInChI=1S/C11H15NO2/c1-3-8-4-5-10(14-8)9-6-11(13)12-7(9)2/h4-5,7,9H,3,6H2,1-2H3,(H,12,13)
InChIKeyOTXVHIWOWLCSOF-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.83
Rot. Bonds2

About 4-(5-ethylfuran-2-yl)-5-methylpyrrolidin-2-one

4-(5-ethylfuran-2-yl)-5-methylpyrrolidin-2-one (PubChem CID 66109139) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-(5-ethylfuran-2-yl)-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(5-ethylfuran-2-yl)-5-methylpyrrolidin-2-one
PubChem CID66109139
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-(5-ethylfuran-2-yl)-5-methylpyrrolidin-2-one
SMILESCCc1ccc(C2CC(=O)NC2C)o1
InChIInChI=1S/C11H15NO2/c1-3-8-4-5-10(14-8)9-6-11(13)12-7(9)2/h4-5,7,9H,3,6H2,1-2H3,(H,12,13)
InChIKeyOTXVHIWOWLCSOF-UHFFFAOYSA-N
XLogP1.83
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethylfuran-2-yl)-5-methylpyrrolidin-2-one?
The IUPAC name of 4-(5-ethylfuran-2-yl)-5-methylpyrrolidin-2-one (CID 66109139) is 4-(5-ethylfuran-2-yl)-5-methylpyrrolidin-2-one.
What is the SMILES notation for 4-(5-ethylfuran-2-yl)-5-methylpyrrolidin-2-one?
The canonical SMILES for 4-(5-ethylfuran-2-yl)-5-methylpyrrolidin-2-one is CCc1ccc(C2CC(=O)NC2C)o1.
What is the InChIKey of 4-(5-ethylfuran-2-yl)-5-methylpyrrolidin-2-one?
The InChIKey is OTXVHIWOWLCSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-8-4-5-10(14-8)9-6-11(13)12-7(9)2/h4-5,7,9H,3,6H2,1-2H3,(H,12,13).
What are the key properties of 4-(5-ethylfuran-2-yl)-5-methylpyrrolidin-2-one?
4-(5-ethylfuran-2-yl)-5-methylpyrrolidin-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethylfuran-2-yl)-5-methylpyrrolidin-2-one is sourced from PubChem (CID 66109139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).