1-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrrole-2,5-dione

C10H15NO3 — CID 106186868

IUPAC1-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrrole-2,5-dione
SMILESCC(C)(O)C(C)(C)N1C(=O)C=CC1=O
InChIInChI=1S/C10H15NO3/c1-9(2,10(3,4)14)11-7(12)5-6-8(11)13/h5-6,14H,1-4H3
InChIKeyXODCRBTWJWFVGJ-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.46
Rot. Bonds2

About 1-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrrole-2,5-dione

1-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrrole-2,5-dione (PubChem CID 106186868) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrrole-2,5-dione
PubChem CID106186868
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrrole-2,5-dione
SMILESCC(C)(O)C(C)(C)N1C(=O)C=CC1=O
InChIInChI=1S/C10H15NO3/c1-9(2,10(3,4)14)11-7(12)5-6-8(11)13/h5-6,14H,1-4H3
InChIKeyXODCRBTWJWFVGJ-UHFFFAOYSA-N
XLogP0.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrrole-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-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrrole-2,5-dione (CID 106186868) is 1-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrrole-2,5-dione is CC(C)(O)C(C)(C)N1C(=O)C=CC1=O.
What is the InChIKey of 1-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrrole-2,5-dione?
The InChIKey is XODCRBTWJWFVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-9(2,10(3,4)14)11-7(12)5-6-8(11)13/h5-6,14H,1-4H3.
What are the key properties of 1-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrrole-2,5-dione?
1-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrrole-2,5-dione has a molecular weight of 197.23 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrrole-2,5-dione is sourced from PubChem (CID 106186868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).