2-butyl-4-hydroxy-1-methyl-2H-pyrrol-5-one

C9H15NO2 — CID 172552143

IUPAC2-butyl-4-hydroxy-1-methyl-2H-pyrrol-5-one
SMILESCCCCC1C=C(O)C(=O)N1C
InChIInChI=1S/C9H15NO2/c1-3-4-5-7-6-8(11)9(12)10(7)2/h6-7,11H,3-5H2,1-2H3
InChIKeyYUXCUEGGGGSMCS-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.46
Rot. Bonds3

About 2-butyl-4-hydroxy-1-methyl-2H-pyrrol-5-one

2-butyl-4-hydroxy-1-methyl-2H-pyrrol-5-one (PubChem CID 172552143) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-butyl-4-hydroxy-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-butyl-4-hydroxy-1-methyl-2H-pyrrol-5-one
PubChem CID172552143
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-butyl-4-hydroxy-1-methyl-2H-pyrrol-5-one
SMILESCCCCC1C=C(O)C(=O)N1C
InChIInChI=1S/C9H15NO2/c1-3-4-5-7-6-8(11)9(12)10(7)2/h6-7,11H,3-5H2,1-2H3
InChIKeyYUXCUEGGGGSMCS-UHFFFAOYSA-N
XLogP1.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 2-butyl-4-hydroxy-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 2-butyl-4-hydroxy-1-methyl-2H-pyrrol-5-one?
The IUPAC name of 2-butyl-4-hydroxy-1-methyl-2H-pyrrol-5-one (CID 172552143) is 2-butyl-4-hydroxy-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 2-butyl-4-hydroxy-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 2-butyl-4-hydroxy-1-methyl-2H-pyrrol-5-one is CCCCC1C=C(O)C(=O)N1C.
What is the InChIKey of 2-butyl-4-hydroxy-1-methyl-2H-pyrrol-5-one?
The InChIKey is YUXCUEGGGGSMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-4-5-7-6-8(11)9(12)10(7)2/h6-7,11H,3-5H2,1-2H3.
What are the key properties of 2-butyl-4-hydroxy-1-methyl-2H-pyrrol-5-one?
2-butyl-4-hydroxy-1-methyl-2H-pyrrol-5-one has a molecular weight of 169.22 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-hydroxy-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 172552143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).