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

C6H9NO3 — CID 146290054

IUPAC1-hydroxy-2-methoxy-3-methyl-2H-pyrrol-5-one
SMILESCOC1C(C)=CC(=O)N1O
InChIInChI=1S/C6H9NO3/c1-4-3-5(8)7(9)6(4)10-2/h3,6,9H,1-2H3
InChIKeyYXLPFSZAXPNIRJ-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.14
Rot. Bonds1

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

1-hydroxy-2-methoxy-3-methyl-2H-pyrrol-5-one (PubChem CID 146290054) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 1-hydroxy-2-methoxy-3-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-hydroxy-2-methoxy-3-methyl-2H-pyrrol-5-one
PubChem CID146290054
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name1-hydroxy-2-methoxy-3-methyl-2H-pyrrol-5-one
SMILESCOC1C(C)=CC(=O)N1O
InChIInChI=1S/C6H9NO3/c1-4-3-5(8)7(9)6(4)10-2/h3,6,9H,1-2H3
InChIKeyYXLPFSZAXPNIRJ-UHFFFAOYSA-N
XLogP0.14
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 ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-1-methoxy-4-methyl-2H-pyrrol-5-one
CID 90385916
2-methoxy-1,3-dimethyl-2H-pyrrol-5-one
CID 101108111
ethyl 1-hydroxy-5-oxo-2H-pyrrole-3-carboxylate
CID 141157588
2-methoxy-1,4-dimethyl-2H-pyrrol-5-one
CID 146290007
[1-hydroxy-3-(methoxymethyl)-5-oxo-2H-pyrrol-2-yl] acetate
CID 153380625
1-hydroxy-2-methoxy-3-methyl-2H-pyrrol-5-one;2-methylpropyl formate
CID 153380662
1-methoxy-3-methyl-2H-pyrrol-5-one
CID 154314651

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-methoxy-3-methyl-2H-pyrrol-5-one?
The IUPAC name of 1-hydroxy-2-methoxy-3-methyl-2H-pyrrol-5-one (CID 146290054) is 1-hydroxy-2-methoxy-3-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-hydroxy-2-methoxy-3-methyl-2H-pyrrol-5-one?
The canonical SMILES for 1-hydroxy-2-methoxy-3-methyl-2H-pyrrol-5-one is COC1C(C)=CC(=O)N1O.
What is the InChIKey of 1-hydroxy-2-methoxy-3-methyl-2H-pyrrol-5-one?
The InChIKey is YXLPFSZAXPNIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-4-3-5(8)7(9)6(4)10-2/h3,6,9H,1-2H3.
What are the key properties of 1-hydroxy-2-methoxy-3-methyl-2H-pyrrol-5-one?
1-hydroxy-2-methoxy-3-methyl-2H-pyrrol-5-one has a molecular weight of 143.14 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-methoxy-3-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 146290054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).