4-[1-(5-propan-2-ylfuran-2-yl)propan-2-yl]pyrrolidin-2-one

C14H21NO2 — CID 129156221

IUPAC4-[1-(5-propan-2-ylfuran-2-yl)propan-2-yl]pyrrolidin-2-one
SMILESCC(C)c1ccc(CC(C)C2CNC(=O)C2)o1
InChIInChI=1S/C14H21NO2/c1-9(2)13-5-4-12(17-13)6-10(3)11-7-14(16)15-8-11/h4-5,9-11H,6-8H2,1-3H3,(H,15,16)
InChIKeyMRODBLVNRDIXGQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.72
Rot. Bonds4

About 4-[1-(5-propan-2-ylfuran-2-yl)propan-2-yl]pyrrolidin-2-one

4-[1-(5-propan-2-ylfuran-2-yl)propan-2-yl]pyrrolidin-2-one (PubChem CID 129156221) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[1-(5-propan-2-ylfuran-2-yl)propan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-(5-propan-2-ylfuran-2-yl)propan-2-yl]pyrrolidin-2-one
PubChem CID129156221
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-[1-(5-propan-2-ylfuran-2-yl)propan-2-yl]pyrrolidin-2-one
SMILESCC(C)c1ccc(CC(C)C2CNC(=O)C2)o1
InChIInChI=1S/C14H21NO2/c1-9(2)13-5-4-12(17-13)6-10(3)11-7-14(16)15-8-11/h4-5,9-11H,6-8H2,1-3H3,(H,15,16)
InChIKeyMRODBLVNRDIXGQ-UHFFFAOYSA-N
XLogP2.72
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[1-(5-propan-2-ylfuran-2-yl)propan-2-yl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-propan-2-ylfuran-2-yl)propan-2-yl]pyrrolidin-2-one?
The IUPAC name of 4-[1-(5-propan-2-ylfuran-2-yl)propan-2-yl]pyrrolidin-2-one (CID 129156221) is 4-[1-(5-propan-2-ylfuran-2-yl)propan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-[1-(5-propan-2-ylfuran-2-yl)propan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 4-[1-(5-propan-2-ylfuran-2-yl)propan-2-yl]pyrrolidin-2-one is CC(C)c1ccc(CC(C)C2CNC(=O)C2)o1.
What is the InChIKey of 4-[1-(5-propan-2-ylfuran-2-yl)propan-2-yl]pyrrolidin-2-one?
The InChIKey is MRODBLVNRDIXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9(2)13-5-4-12(17-13)6-10(3)11-7-14(16)15-8-11/h4-5,9-11H,6-8H2,1-3H3,(H,15,16).
What are the key properties of 4-[1-(5-propan-2-ylfuran-2-yl)propan-2-yl]pyrrolidin-2-one?
4-[1-(5-propan-2-ylfuran-2-yl)propan-2-yl]pyrrolidin-2-one has a molecular weight of 235.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-propan-2-ylfuran-2-yl)propan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 129156221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).