1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylpyrrolidine-2,5-dione

C11H19NO4 — CID 106253624

IUPAC1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylpyrrolidine-2,5-dione
SMILESCOCCC(C)(O)CN1C(=O)CC(C)C1=O
InChIInChI=1S/C11H19NO4/c1-8-6-9(13)12(10(8)14)7-11(2,15)4-5-16-3/h8,15H,4-7H2,1-3H3
InChIKeyCOBXDCIIQKWQEU-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.17
Rot. Bonds5

About 1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylpyrrolidine-2,5-dione

1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylpyrrolidine-2,5-dione (PubChem CID 106253624) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylpyrrolidine-2,5-dione
PubChem CID106253624
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylpyrrolidine-2,5-dione
SMILESCOCCC(C)(O)CN1C(=O)CC(C)C1=O
InChIInChI=1S/C11H19NO4/c1-8-6-9(13)12(10(8)14)7-11(2,15)4-5-16-3/h8,15H,4-7H2,1-3H3
InChIKeyCOBXDCIIQKWQEU-UHFFFAOYSA-N
XLogP0.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylpyrrolidine-2,5-dione 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

3-(2-hydroxy-4-methoxy-2-methylbutyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 106253720
N-(2-methoxyethyl)-2,2-dimethyl-4-(3-methyl-2,5-dioxopyrrolidin-1-yl)butanamide
CID 166802488
3-methyl-1-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrolidine-2,5-dione
CID 163797402
1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 106253733
1-[2,2-dimethyl-3-(2-methylbutan-2-yloxy)propyl]-3-methylpyrrolidine-2,5-dione
CID 155472486
CID 59941556
CID 59941556
1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-(propan-2-ylamino)pyrrolidin-2-one
CID 106254215
N-(4-methoxybutyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 59331203
2-methoxy-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid
CID 106108334
3-methyl-1-(2-propan-2-yloxyethyl)pyrrolidine-2,5-dione
CID 167490860
1-[[3-(methoxymethyl)piperidin-3-yl]methyl]-3-methylpyrrolidine-2,5-dione
CID 114280953
N-[2-(2-methoxyethylsulfonyl)ethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 156791281

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylpyrrolidine-2,5-dione (CID 106253624) is 1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylpyrrolidine-2,5-dione is COCCC(C)(O)CN1C(=O)CC(C)C1=O.
What is the InChIKey of 1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylpyrrolidine-2,5-dione?
The InChIKey is COBXDCIIQKWQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-8-6-9(13)12(10(8)14)7-11(2,15)4-5-16-3/h8,15H,4-7H2,1-3H3.
What are the key properties of 1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylpyrrolidine-2,5-dione?
1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylpyrrolidine-2,5-dione has a molecular weight of 229.28 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 106253624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).