1-(1-hydroxybutan-2-yl)-3-methylpyrrolidine-2,5-dione

C9H15NO3 — CID 61208683

IUPAC1-(1-hydroxybutan-2-yl)-3-methylpyrrolidine-2,5-dione
SMILESCCC(CO)N1C(=O)CC(C)C1=O
InChIInChI=1S/C9H15NO3/c1-3-7(5-11)10-8(12)4-6(2)9(10)13/h6-7,11H,3-5H2,1-2H3
InChIKeyDMMANXIWDXLCQT-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.15
Rot. Bonds3

About 1-(1-hydroxybutan-2-yl)-3-methylpyrrolidine-2,5-dione

1-(1-hydroxybutan-2-yl)-3-methylpyrrolidine-2,5-dione (PubChem CID 61208683) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-(1-hydroxybutan-2-yl)-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(1-hydroxybutan-2-yl)-3-methylpyrrolidine-2,5-dione
PubChem CID61208683
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-(1-hydroxybutan-2-yl)-3-methylpyrrolidine-2,5-dione
SMILESCCC(CO)N1C(=O)CC(C)C1=O
InChIInChI=1S/C9H15NO3/c1-3-7(5-11)10-8(12)4-6(2)9(10)13/h6-7,11H,3-5H2,1-2H3
InChIKeyDMMANXIWDXLCQT-UHFFFAOYSA-N
XLogP0.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1-hydroxybutan-2-yl)-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

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxybutan-2-yl)-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-(1-hydroxybutan-2-yl)-3-methylpyrrolidine-2,5-dione (CID 61208683) is 1-(1-hydroxybutan-2-yl)-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(1-hydroxybutan-2-yl)-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(1-hydroxybutan-2-yl)-3-methylpyrrolidine-2,5-dione is CCC(CO)N1C(=O)CC(C)C1=O.
What is the InChIKey of 1-(1-hydroxybutan-2-yl)-3-methylpyrrolidine-2,5-dione?
The InChIKey is DMMANXIWDXLCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-7(5-11)10-8(12)4-6(2)9(10)13/h6-7,11H,3-5H2,1-2H3.
What are the key properties of 1-(1-hydroxybutan-2-yl)-3-methylpyrrolidine-2,5-dione?
1-(1-hydroxybutan-2-yl)-3-methylpyrrolidine-2,5-dione has a molecular weight of 185.22 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxybutan-2-yl)-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 61208683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).