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

C9H11NO2 — CID 66108911

IUPAC4-(furan-2-yl)-5-methylpyrrolidin-2-one
SMILESCC1NC(=O)CC1c1ccco1
InChIInChI=1S/C9H11NO2/c1-6-7(5-9(11)10-6)8-3-2-4-12-8/h2-4,6-7H,5H2,1H3,(H,10,11)
InChIKeyGKTYXTCYDJXAAS-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.27
Rot. Bonds1

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

4-(furan-2-yl)-5-methylpyrrolidin-2-one (PubChem CID 66108911) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 4-(furan-2-yl)-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(furan-2-yl)-5-methylpyrrolidin-2-one
PubChem CID66108911
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name4-(furan-2-yl)-5-methylpyrrolidin-2-one
SMILESCC1NC(=O)CC1c1ccco1
InChIInChI=1S/C9H11NO2/c1-6-7(5-9(11)10-6)8-3-2-4-12-8/h2-4,6-7H,5H2,1H3,(H,10,11)
InChIKeyGKTYXTCYDJXAAS-UHFFFAOYSA-N
XLogP1.27
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-5-methylpyrrolidin-2-one?
The IUPAC name of 4-(furan-2-yl)-5-methylpyrrolidin-2-one (CID 66108911) is 4-(furan-2-yl)-5-methylpyrrolidin-2-one.
What is the SMILES notation for 4-(furan-2-yl)-5-methylpyrrolidin-2-one?
The canonical SMILES for 4-(furan-2-yl)-5-methylpyrrolidin-2-one is CC1NC(=O)CC1c1ccco1.
What is the InChIKey of 4-(furan-2-yl)-5-methylpyrrolidin-2-one?
The InChIKey is GKTYXTCYDJXAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6-7(5-9(11)10-6)8-3-2-4-12-8/h2-4,6-7H,5H2,1H3,(H,10,11).
What are the key properties of 4-(furan-2-yl)-5-methylpyrrolidin-2-one?
4-(furan-2-yl)-5-methylpyrrolidin-2-one has a molecular weight of 165.19 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-5-methylpyrrolidin-2-one is sourced from PubChem (CID 66108911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).