4-methyl-5-[3-(oxan-2-yloxy)propyl]pyrrolidin-2-one

C13H23NO3 — CID 18428541

IUPAC4-methyl-5-[3-(oxan-2-yloxy)propyl]pyrrolidin-2-one
SMILESCC1CC(=O)NC1CCCOC1CCCCO1
InChIInChI=1S/C13H23NO3/c1-10-9-12(15)14-11(10)5-4-8-17-13-6-2-3-7-16-13/h10-11,13H,2-9H2,1H3,(H,14,15)
InChIKeyOQUHZJYUDIHESA-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.83
Rot. Bonds5

About 4-methyl-5-[3-(oxan-2-yloxy)propyl]pyrrolidin-2-one

4-methyl-5-[3-(oxan-2-yloxy)propyl]pyrrolidin-2-one (PubChem CID 18428541) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-methyl-5-[3-(oxan-2-yloxy)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-methyl-5-[3-(oxan-2-yloxy)propyl]pyrrolidin-2-one
PubChem CID18428541
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name4-methyl-5-[3-(oxan-2-yloxy)propyl]pyrrolidin-2-one
SMILESCC1CC(=O)NC1CCCOC1CCCCO1
InChIInChI=1S/C13H23NO3/c1-10-9-12(15)14-11(10)5-4-8-17-13-6-2-3-7-16-13/h10-11,13H,2-9H2,1H3,(H,14,15)
InChIKeyOQUHZJYUDIHESA-UHFFFAOYSA-N
XLogP1.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methyl-5-[3-(oxan-2-yloxy)propyl]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-methyl-5-[3-(oxan-2-yloxy)propyl]pyrrolidin-2-one?
The IUPAC name of 4-methyl-5-[3-(oxan-2-yloxy)propyl]pyrrolidin-2-one (CID 18428541) is 4-methyl-5-[3-(oxan-2-yloxy)propyl]pyrrolidin-2-one.
What is the SMILES notation for 4-methyl-5-[3-(oxan-2-yloxy)propyl]pyrrolidin-2-one?
The canonical SMILES for 4-methyl-5-[3-(oxan-2-yloxy)propyl]pyrrolidin-2-one is CC1CC(=O)NC1CCCOC1CCCCO1.
What is the InChIKey of 4-methyl-5-[3-(oxan-2-yloxy)propyl]pyrrolidin-2-one?
The InChIKey is OQUHZJYUDIHESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10-9-12(15)14-11(10)5-4-8-17-13-6-2-3-7-16-13/h10-11,13H,2-9H2,1H3,(H,14,15).
What are the key properties of 4-methyl-5-[3-(oxan-2-yloxy)propyl]pyrrolidin-2-one?
4-methyl-5-[3-(oxan-2-yloxy)propyl]pyrrolidin-2-one has a molecular weight of 241.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[3-(oxan-2-yloxy)propyl]pyrrolidin-2-one is sourced from PubChem (CID 18428541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).