1-hydroxy-2-methoxy-3-methyl-2H-pyrrol-5-one;2-methylpropyl formate

C11H19NO5 — CID 153380662

IUPAC1-hydroxy-2-methoxy-3-methyl-2H-pyrrol-5-one;2-methylpropyl formate
SMILESCC(C)COC=O.COC1C(C)=CC(=O)N1O
InChIInChI=1S/C6H9NO3.C5H10O2/c1-4-3-5(8)7(9)6(4)10-2;1-5(2)3-7-4-6/h3,6,9H,1-2H3;4-5H,3H2,1-2H3
InChIKeyUUZMMYRMMSTLMM-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.95
Rot. Bonds4

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

1-hydroxy-2-methoxy-3-methyl-2H-pyrrol-5-one;2-methylpropyl formate (PubChem CID 153380662) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 1-hydroxy-2-methoxy-3-methyl-2H-pyrrol-5-one;2-methylpropyl formate.

Molecular Properties

Compound Name1-hydroxy-2-methoxy-3-methyl-2H-pyrrol-5-one;2-methylpropyl formate
PubChem CID153380662
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name1-hydroxy-2-methoxy-3-methyl-2H-pyrrol-5-one;2-methylpropyl formate
SMILESCC(C)COC=O.COC1C(C)=CC(=O)N1O
InChIInChI=1S/C6H9NO3.C5H10O2/c1-4-3-5(8)7(9)6(4)10-2;1-5(2)3-7-4-6/h3,6,9H,1-2H3;4-5H,3H2,1-2H3
InChIKeyUUZMMYRMMSTLMM-UHFFFAOYSA-N
XLogP0.95
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-hydroxy-2-methoxy-3-methyl-2H-pyrrol-5-one;2-methylpropyl formate 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 1-hydroxy-2-methoxy-3-methyl-2H-pyrrol-5-one;2-methylpropyl formate?
The IUPAC name of 1-hydroxy-2-methoxy-3-methyl-2H-pyrrol-5-one;2-methylpropyl formate (CID 153380662) is 1-hydroxy-2-methoxy-3-methyl-2H-pyrrol-5-one;2-methylpropyl formate.
What is the SMILES notation for 1-hydroxy-2-methoxy-3-methyl-2H-pyrrol-5-one;2-methylpropyl formate?
The canonical SMILES for 1-hydroxy-2-methoxy-3-methyl-2H-pyrrol-5-one;2-methylpropyl formate is CC(C)COC=O.COC1C(C)=CC(=O)N1O.
What is the InChIKey of 1-hydroxy-2-methoxy-3-methyl-2H-pyrrol-5-one;2-methylpropyl formate?
The InChIKey is UUZMMYRMMSTLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3.C5H10O2/c1-4-3-5(8)7(9)6(4)10-2;1-5(2)3-7-4-6/h3,6,9H,1-2H3;4-5H,3H2,1-2H3.
What are the key properties of 1-hydroxy-2-methoxy-3-methyl-2H-pyrrol-5-one;2-methylpropyl formate?
1-hydroxy-2-methoxy-3-methyl-2H-pyrrol-5-one;2-methylpropyl formate has a molecular weight of 245.27 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-methoxy-3-methyl-2H-pyrrol-5-one;2-methylpropyl formate is sourced from PubChem (CID 153380662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).