4,4-diethyl-3H-pyrrol-2-one

C8H13NO — CID 141219568

IUPAC4,4-diethyl-3H-pyrrol-2-one
SMILESCCC1(CC)C=NC(=O)C1
InChIInChI=1S/C8H13NO/c1-3-8(4-2)5-7(10)9-6-8/h6H,3-5H2,1-2H3
InChIKeyPIBWWGQARKINTC-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.79
Rot. Bonds2

About 4,4-diethyl-3H-pyrrol-2-one

4,4-diethyl-3H-pyrrol-2-one (PubChem CID 141219568) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 4,4-diethyl-3H-pyrrol-2-one.

Molecular Properties

Compound Name4,4-diethyl-3H-pyrrol-2-one
PubChem CID141219568
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name4,4-diethyl-3H-pyrrol-2-one
SMILESCCC1(CC)C=NC(=O)C1
InChIInChI=1S/C8H13NO/c1-3-8(4-2)5-7(10)9-6-8/h6H,3-5H2,1-2H3
InChIKeyPIBWWGQARKINTC-UHFFFAOYSA-N
XLogP1.79
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,4-diethyl-3H-pyrrol-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 4,4-diethyl-3H-pyrrol-2-one?
The IUPAC name of 4,4-diethyl-3H-pyrrol-2-one (CID 141219568) is 4,4-diethyl-3H-pyrrol-2-one.
What is the SMILES notation for 4,4-diethyl-3H-pyrrol-2-one?
The canonical SMILES for 4,4-diethyl-3H-pyrrol-2-one is CCC1(CC)C=NC(=O)C1.
What is the InChIKey of 4,4-diethyl-3H-pyrrol-2-one?
The InChIKey is PIBWWGQARKINTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-8(4-2)5-7(10)9-6-8/h6H,3-5H2,1-2H3.
What are the key properties of 4,4-diethyl-3H-pyrrol-2-one?
4,4-diethyl-3H-pyrrol-2-one has a molecular weight of 139.20 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-3H-pyrrol-2-one is sourced from PubChem (CID 141219568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).