3-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one

C8H13NO2 — CID 146290009

IUPAC3-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one
SMILESCCC1=CC(=O)N(C1OC)C
InChIInChI=1S/C8H13NO2/c1-4-6-5-7(10)9(2)8(6)11-3/h5,8H,4H2,1-3H3
InChIKeyROZBXVYAZZQJAO-UHFFFAOYSA-N
MW155.19 g/mol
LogP0.20
Rot. Bonds2

About 3-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one

3-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one (PubChem CID 146290009) has the molecular formula C8H13NO2 and a molecular weight of 155.19 g/mol. Its IUPAC name is 3-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one
PubChem CID146290009
Molecular FormulaC8H13NO2
Molecular Weight155.19 g/mol
Exact Mass155.09
IUPAC Name3-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one
SMILESCCC1=CC(=O)N(C1OC)C
InChIInChI=1S/C8H13NO2/c1-4-6-5-7(10)9(2)8(6)11-3/h5,8H,4H2,1-3H3
InChIKeyROZBXVYAZZQJAO-UHFFFAOYSA-N
XLogP0.20
TPSA29.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity198

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.19
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-2-methoxy-1-methyl-2H-pyrrol-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 3-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one?
The IUPAC name of 3-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one (CID 146290009) is 3-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 3-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one is CCC1=CC(=O)N(C1OC)C.
What is the InChIKey of 3-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one?
The InChIKey is ROZBXVYAZZQJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-4-6-5-7(10)9(2)8(6)11-3/h5,8H,4H2,1-3H3.
What are the key properties of 3-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one?
3-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one has a molecular weight of 155.19 g/mol, XLogP of 0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 146290009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).