4-ethyl-3-hydroxy-1-propan-2-yl-2H-pyrrol-5-one

C9H15NO2 — CID 139219089

IUPAC4-ethyl-3-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
SMILESCCC1=C(O)CN(C(C)C)C1=O
InChIInChI=1S/C9H15NO2/c1-4-7-8(11)5-10(6(2)3)9(7)12/h6,11H,4-5H2,1-3H3
InChIKeyVKKVUSJUEBYWFV-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.46
Rot. Bonds2

About 4-ethyl-3-hydroxy-1-propan-2-yl-2H-pyrrol-5-one

4-ethyl-3-hydroxy-1-propan-2-yl-2H-pyrrol-5-one (PubChem CID 139219089) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-ethyl-3-hydroxy-1-propan-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-ethyl-3-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
PubChem CID139219089
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name4-ethyl-3-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
SMILESCCC1=C(O)CN(C(C)C)C1=O
InChIInChI=1S/C9H15NO2/c1-4-7-8(11)5-10(6(2)3)9(7)12/h6,11H,4-5H2,1-3H3
InChIKeyVKKVUSJUEBYWFV-UHFFFAOYSA-N
XLogP1.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-3-hydroxy-1-propan-2-yl-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

Related Compounds

3-Acetyl-4-hydroxy-1-methyl-1H-pyrrol-2(5H)-one
CID 54678600
3-hydroxy-1-propan-2-yl-4-propyl-2H-pyrrol-5-one
CID 101562023
1-tert-butyl-3-hydroxy-4-methyl-2H-pyrrol-5-one
CID 101562025
3-hydroxy-4-methyl-1-propan-2-yl-2H-pyrrol-5-one
CID 139219088
4-butyl-3-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
CID 139219090
1-butyl-3-hydroxy-4-methyl-2H-pyrrol-5-one
CID 139219091
1-butyl-4-ethyl-3-hydroxy-2H-pyrrol-5-one
CID 139219092
1-butyl-3-hydroxy-4-propyl-2H-pyrrol-5-one
CID 139219093
1,4-dibutyl-3-hydroxy-2H-pyrrol-5-one
CID 139219094
1-tert-butyl-4-ethyl-3-hydroxy-2H-pyrrol-5-one
CID 139219095
1-tert-butyl-3-hydroxy-4-propyl-2H-pyrrol-5-one
CID 139219096
4-butyl-1-tert-butyl-3-hydroxy-2H-pyrrol-5-one
CID 139219097

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-hydroxy-1-propan-2-yl-2H-pyrrol-5-one?
The IUPAC name of 4-ethyl-3-hydroxy-1-propan-2-yl-2H-pyrrol-5-one (CID 139219089) is 4-ethyl-3-hydroxy-1-propan-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 4-ethyl-3-hydroxy-1-propan-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 4-ethyl-3-hydroxy-1-propan-2-yl-2H-pyrrol-5-one is CCC1=C(O)CN(C(C)C)C1=O.
What is the InChIKey of 4-ethyl-3-hydroxy-1-propan-2-yl-2H-pyrrol-5-one?
The InChIKey is VKKVUSJUEBYWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-7-8(11)5-10(6(2)3)9(7)12/h6,11H,4-5H2,1-3H3.
What are the key properties of 4-ethyl-3-hydroxy-1-propan-2-yl-2H-pyrrol-5-one?
4-ethyl-3-hydroxy-1-propan-2-yl-2H-pyrrol-5-one has a molecular weight of 169.22 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-hydroxy-1-propan-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 139219089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).