4-(2-methoxyethyl)-4,5-dimethylpyrrolidin-2-one

C9H17NO2 — CID 66109348

IUPAC4-(2-methoxyethyl)-4,5-dimethylpyrrolidin-2-one
SMILESCOCCC1(C)CC(=O)NC1C
InChIInChI=1S/C9H17NO2/c1-7-9(2,4-5-12-3)6-8(11)10-7/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyXXXCHYKVGAIFBS-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds3

About 4-(2-methoxyethyl)-4,5-dimethylpyrrolidin-2-one

4-(2-methoxyethyl)-4,5-dimethylpyrrolidin-2-one (PubChem CID 66109348) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-4,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-methoxyethyl)-4,5-dimethylpyrrolidin-2-one
PubChem CID66109348
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4-(2-methoxyethyl)-4,5-dimethylpyrrolidin-2-one
SMILESCOCCC1(C)CC(=O)NC1C
InChIInChI=1S/C9H17NO2/c1-7-9(2,4-5-12-3)6-8(11)10-7/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyXXXCHYKVGAIFBS-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-methoxyethyl)-4,5-dimethylpyrrolidin-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-(2-methoxyethyl)-4,5-dimethylpyrrolidin-2-one?
The IUPAC name of 4-(2-methoxyethyl)-4,5-dimethylpyrrolidin-2-one (CID 66109348) is 4-(2-methoxyethyl)-4,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for 4-(2-methoxyethyl)-4,5-dimethylpyrrolidin-2-one?
The canonical SMILES for 4-(2-methoxyethyl)-4,5-dimethylpyrrolidin-2-one is COCCC1(C)CC(=O)NC1C.
What is the InChIKey of 4-(2-methoxyethyl)-4,5-dimethylpyrrolidin-2-one?
The InChIKey is XXXCHYKVGAIFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7-9(2,4-5-12-3)6-8(11)10-7/h7H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 4-(2-methoxyethyl)-4,5-dimethylpyrrolidin-2-one?
4-(2-methoxyethyl)-4,5-dimethylpyrrolidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-4,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 66109348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).