4-ethyl-3-methyl-1,2-dihydropyrrol-5-one

C7H11NO — CID 854146

IUPAC4-ethyl-3-methyl-1,2-dihydropyrrol-5-one
SMILESCCC1=C(C)CNC1=O
InChIInChI=1S/C7H11NO/c1-3-6-5(2)4-8-7(6)9/h3-4H2,1-2H3,(H,8,9)
InChIKeyYCTNTSVMJWIYTQ-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.84
Rot. Bonds1

About 4-ethyl-3-methyl-1,2-dihydropyrrol-5-one

4-ethyl-3-methyl-1,2-dihydropyrrol-5-one (PubChem CID 854146) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 4-ethyl-3-methyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-ethyl-3-methyl-1,2-dihydropyrrol-5-one
PubChem CID854146
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name4-ethyl-3-methyl-1,2-dihydropyrrol-5-one
SMILESCCC1=C(C)CNC1=O
InChIInChI=1S/C7H11NO/c1-3-6-5(2)4-8-7(6)9/h3-4H2,1-2H3,(H,8,9)
InChIKeyYCTNTSVMJWIYTQ-UHFFFAOYSA-N
XLogP0.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-ethyl-3-methyl-1,2-dihydropyrrol-5-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-ethyl-3-methyl-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-ethyl-3-methyl-1,2-dihydropyrrol-5-one (CID 854146) is 4-ethyl-3-methyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-ethyl-3-methyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-ethyl-3-methyl-1,2-dihydropyrrol-5-one is CCC1=C(C)CNC1=O.
What is the InChIKey of 4-ethyl-3-methyl-1,2-dihydropyrrol-5-one?
The InChIKey is YCTNTSVMJWIYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-6-5(2)4-8-7(6)9/h3-4H2,1-2H3,(H,8,9).
What are the key properties of 4-ethyl-3-methyl-1,2-dihydropyrrol-5-one?
4-ethyl-3-methyl-1,2-dihydropyrrol-5-one has a molecular weight of 125.17 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 854146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).