1-(4-hydroxy-1-methoxybutan-2-yl)-3,4-dimethylpyrrolidine-2,5-dione

C11H19NO4 — CID 106159174

IUPAC1-(4-hydroxy-1-methoxybutan-2-yl)-3,4-dimethylpyrrolidine-2,5-dione
SMILESCOCC(CCO)N1C(=O)C(C)C(C)C1=O
InChIInChI=1S/C11H19NO4/c1-7-8(2)11(15)12(10(7)14)9(4-5-13)6-16-3/h7-9,13H,4-6H2,1-3H3
InChIKeyPKGWEPSCDIYKKS-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.02
Rot. Bonds5

About 1-(4-hydroxy-1-methoxybutan-2-yl)-3,4-dimethylpyrrolidine-2,5-dione

1-(4-hydroxy-1-methoxybutan-2-yl)-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 106159174) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(4-hydroxy-1-methoxybutan-2-yl)-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-hydroxy-1-methoxybutan-2-yl)-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID106159174
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name1-(4-hydroxy-1-methoxybutan-2-yl)-3,4-dimethylpyrrolidine-2,5-dione
SMILESCOCC(CCO)N1C(=O)C(C)C(C)C1=O
InChIInChI=1S/C11H19NO4/c1-7-8(2)11(15)12(10(7)14)9(4-5-13)6-16-3/h7-9,13H,4-6H2,1-3H3
InChIKeyPKGWEPSCDIYKKS-UHFFFAOYSA-N
XLogP0.02
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 ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2,5-dione
CID 11137821
(3S)-1-[(2S)-1-hydroxypropan-2-yl]-3-methylpyrrolidine-2,5-dione
CID 58743054
(3R)-1-[(1S)-2-hydroxy-1-methylethyl]-3-methylpyrrolidine-2,5-dione
CID 58743064
(3R)-1-[(2R)-1-hydroxypropan-2-yl]-3-methylpyrrolidine-2,5-dione
CID 89636991
1-(1-Hydroxypropan-2-yl)-3-methylpyrrolidine-2,5-dione
CID 21884703
N-(2-hydroxyethyl)-1-(2-methoxyethyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 43573597
N-(3-hydroxypropyl)-1-(2-methoxyethyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 61039677
1-(1-Hydroxybutan-2-yl)-3-methylpyrrolidine-2,5-dione
CID 61208683
1-(1-Hydroxy-4-methylpentan-2-yl)-3-methylpyrrolidine-2,5-dione
CID 61250849
1-(1-Hydroxy-4-methylpentan-2-yl)pyrrolidine-2,5-dione
CID 61250997
4-(Hydroxymethyl)-1-(1-methoxypropan-2-yl)pyrrolidin-2-one
CID 64209002
1-(1-Ethoxypropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 64209641

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-1-methoxybutan-2-yl)-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-(4-hydroxy-1-methoxybutan-2-yl)-3,4-dimethylpyrrolidine-2,5-dione (CID 106159174) is 1-(4-hydroxy-1-methoxybutan-2-yl)-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-hydroxy-1-methoxybutan-2-yl)-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-hydroxy-1-methoxybutan-2-yl)-3,4-dimethylpyrrolidine-2,5-dione is COCC(CCO)N1C(=O)C(C)C(C)C1=O.
What is the InChIKey of 1-(4-hydroxy-1-methoxybutan-2-yl)-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is PKGWEPSCDIYKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-7-8(2)11(15)12(10(7)14)9(4-5-13)6-16-3/h7-9,13H,4-6H2,1-3H3.
What are the key properties of 1-(4-hydroxy-1-methoxybutan-2-yl)-3,4-dimethylpyrrolidine-2,5-dione?
1-(4-hydroxy-1-methoxybutan-2-yl)-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 229.28 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-1-methoxybutan-2-yl)-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 106159174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).