2-hydroxy-4-methyl-1-prop-2-ynyl-2H-pyrrol-5-one

C8H9NO2 — CID 90385914

IUPAC2-hydroxy-4-methyl-1-prop-2-ynyl-2H-pyrrol-5-one
SMILESC#CCN1C(=O)C(C)=CC1O
InChIInChI=1S/C8H9NO2/c1-3-4-9-7(10)5-6(2)8(9)11/h1,5,7,10H,4H2,2H3
InChIKeySZPZZCCLPZYARA-UHFFFAOYSA-N
MW151.16 g/mol
LogP-0.27
Rot. Bonds1

About 2-hydroxy-4-methyl-1-prop-2-ynyl-2H-pyrrol-5-one

2-hydroxy-4-methyl-1-prop-2-ynyl-2H-pyrrol-5-one (PubChem CID 90385914) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-1-prop-2-ynyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-hydroxy-4-methyl-1-prop-2-ynyl-2H-pyrrol-5-one
PubChem CID90385914
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name2-hydroxy-4-methyl-1-prop-2-ynyl-2H-pyrrol-5-one
SMILESC#CCN1C(=O)C(C)=CC1O
InChIInChI=1S/C8H9NO2/c1-3-4-9-7(10)5-6(2)8(9)11/h1,5,7,10H,4H2,2H3
InChIKeySZPZZCCLPZYARA-UHFFFAOYSA-N
XLogP-0.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-hydroxy-4-methyl-1-prop-2-ynyl-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-hydroxy-4-methyl-1-prop-2-ynyl-2H-pyrrol-5-one?
The IUPAC name of 2-hydroxy-4-methyl-1-prop-2-ynyl-2H-pyrrol-5-one (CID 90385914) is 2-hydroxy-4-methyl-1-prop-2-ynyl-2H-pyrrol-5-one.
What is the SMILES notation for 2-hydroxy-4-methyl-1-prop-2-ynyl-2H-pyrrol-5-one?
The canonical SMILES for 2-hydroxy-4-methyl-1-prop-2-ynyl-2H-pyrrol-5-one is C#CCN1C(=O)C(C)=CC1O.
What is the InChIKey of 2-hydroxy-4-methyl-1-prop-2-ynyl-2H-pyrrol-5-one?
The InChIKey is SZPZZCCLPZYARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-3-4-9-7(10)5-6(2)8(9)11/h1,5,7,10H,4H2,2H3.
What are the key properties of 2-hydroxy-4-methyl-1-prop-2-ynyl-2H-pyrrol-5-one?
2-hydroxy-4-methyl-1-prop-2-ynyl-2H-pyrrol-5-one has a molecular weight of 151.16 g/mol, XLogP of -0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-1-prop-2-ynyl-2H-pyrrol-5-one is sourced from PubChem (CID 90385914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).