4,5-diethylpyrrolidin-2-one

C8H15NO — CID 66107645

IUPAC4,5-diethylpyrrolidin-2-one
SMILESCCC1CC(=O)NC1CC
InChIInChI=1S/C8H15NO/c1-3-6-5-8(10)9-7(6)4-2/h6-7H,3-5H2,1-2H3,(H,9,10)
InChIKeySEJKFCISRFMHID-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.31
Rot. Bonds2

About 4,5-diethylpyrrolidin-2-one

4,5-diethylpyrrolidin-2-one (PubChem CID 66107645) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4,5-diethylpyrrolidin-2-one.

Molecular Properties

Compound Name4,5-diethylpyrrolidin-2-one
PubChem CID66107645
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4,5-diethylpyrrolidin-2-one
SMILESCCC1CC(=O)NC1CC
InChIInChI=1S/C8H15NO/c1-3-6-5-8(10)9-7(6)4-2/h6-7H,3-5H2,1-2H3,(H,9,10)
InChIKeySEJKFCISRFMHID-UHFFFAOYSA-N
XLogP1.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,5-diethylpyrrolidin-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 4,5-diethylpyrrolidin-2-one?
The IUPAC name of 4,5-diethylpyrrolidin-2-one (CID 66107645) is 4,5-diethylpyrrolidin-2-one.
What is the SMILES notation for 4,5-diethylpyrrolidin-2-one?
The canonical SMILES for 4,5-diethylpyrrolidin-2-one is CCC1CC(=O)NC1CC.
What is the InChIKey of 4,5-diethylpyrrolidin-2-one?
The InChIKey is SEJKFCISRFMHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-6-5-8(10)9-7(6)4-2/h6-7H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 4,5-diethylpyrrolidin-2-one?
4,5-diethylpyrrolidin-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethylpyrrolidin-2-one is sourced from PubChem (CID 66107645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).