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

C6H9NO3 — CID 90385916

IUPAC2-hydroxy-1-methoxy-4-methyl-2H-pyrrol-5-one
SMILESCON1C(=O)C(C)=CC1O
InChIInChI=1S/C6H9NO3/c1-4-3-5(8)7(10-2)6(4)9/h3,5,8H,1-2H3
InChIKeyOSILNWFMSJWUBB-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.35
Rot. Bonds1

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

2-hydroxy-1-methoxy-4-methyl-2H-pyrrol-5-one (PubChem CID 90385916) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 2-hydroxy-1-methoxy-4-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-hydroxy-1-methoxy-4-methyl-2H-pyrrol-5-one
PubChem CID90385916
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name2-hydroxy-1-methoxy-4-methyl-2H-pyrrol-5-one
SMILESCON1C(=O)C(C)=CC1O
InChIInChI=1S/C6H9NO3/c1-4-3-5(8)7(10-2)6(4)9/h3,5,8H,1-2H3
InChIKeyOSILNWFMSJWUBB-UHFFFAOYSA-N
XLogP-0.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-1-methoxy-4-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

Related Compounds

2-hydroxy-4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one
CID 118342014
2-hydroxy-4-methyl-1-prop-2-enyl-2H-pyrrol-5-one
CID 10942654
2-hydroxy-4-methyl-5-oxo-2H-pyrrole-1-carbaldehyde
CID 13250058
1,2-dihydroxy-2H-pyrrol-5-one
CID 19838066
2-hydroxy-1-(methoxymethyl)-4-methyl-2H-pyrrol-5-one
CID 90374988
2-hydroxy-4-methyl-1-prop-2-ynyl-2H-pyrrol-5-one
CID 90385914
2-hydroxy-1,3-dimethyl-2H-pyrrol-5-one
CID 135170555
2-hydroxy-1,4-dimethyl-2H-pyrrol-5-one
CID 135170661
2-hydroxy-1-propyl-2H-pyrrol-5-one
CID 135175817
2-hydroxy-4-methyl-1-propan-2-yl-2H-pyrrol-5-one
CID 141629220
1-hydroxy-2-methoxy-3-methyl-2H-pyrrol-5-one
CID 146290054
(2-hydroxy-5-oxo-2H-pyrrol-1-yl) 2-methylpropanoate
CID 178679190

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-methoxy-4-methyl-2H-pyrrol-5-one?
The IUPAC name of 2-hydroxy-1-methoxy-4-methyl-2H-pyrrol-5-one (CID 90385916) is 2-hydroxy-1-methoxy-4-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 2-hydroxy-1-methoxy-4-methyl-2H-pyrrol-5-one?
The canonical SMILES for 2-hydroxy-1-methoxy-4-methyl-2H-pyrrol-5-one is CON1C(=O)C(C)=CC1O.
What is the InChIKey of 2-hydroxy-1-methoxy-4-methyl-2H-pyrrol-5-one?
The InChIKey is OSILNWFMSJWUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-4-3-5(8)7(10-2)6(4)9/h3,5,8H,1-2H3.
What are the key properties of 2-hydroxy-1-methoxy-4-methyl-2H-pyrrol-5-one?
2-hydroxy-1-methoxy-4-methyl-2H-pyrrol-5-one has a molecular weight of 143.14 g/mol, XLogP of -0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-methoxy-4-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 90385916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).