1-(2-hydroxy-2-methylpropyl)-3-methylpyrrole-2,5-dione

C9H13NO3 — CID 65117760

IUPAC1-(2-hydroxy-2-methylpropyl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(CC(C)(C)O)C1=O
InChIInChI=1S/C9H13NO3/c1-6-4-7(11)10(8(6)12)5-9(2,3)13/h4,13H,5H2,1-3H3
InChIKeyDUQJSWUEFHMWMV-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.07
Rot. Bonds2

About 1-(2-hydroxy-2-methylpropyl)-3-methylpyrrole-2,5-dione

1-(2-hydroxy-2-methylpropyl)-3-methylpyrrole-2,5-dione (PubChem CID 65117760) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylpropyl)-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylpropyl)-3-methylpyrrole-2,5-dione
PubChem CID65117760
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name1-(2-hydroxy-2-methylpropyl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(CC(C)(C)O)C1=O
InChIInChI=1S/C9H13NO3/c1-6-4-7(11)10(8(6)12)5-9(2,3)13/h4,13H,5H2,1-3H3
InChIKeyDUQJSWUEFHMWMV-UHFFFAOYSA-N
XLogP0.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-hydroxy-2-methylpropyl)-3-methylpyrrole-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-(2-hydroxy-2-methylpropyl)-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-(2-hydroxy-2-methylpropyl)-3-methylpyrrole-2,5-dione (CID 65117760) is 1-(2-hydroxy-2-methylpropyl)-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2-hydroxy-2-methylpropyl)-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-(2-hydroxy-2-methylpropyl)-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(CC(C)(C)O)C1=O.
What is the InChIKey of 1-(2-hydroxy-2-methylpropyl)-3-methylpyrrole-2,5-dione?
The InChIKey is DUQJSWUEFHMWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-6-4-7(11)10(8(6)12)5-9(2,3)13/h4,13H,5H2,1-3H3.
What are the key properties of 1-(2-hydroxy-2-methylpropyl)-3-methylpyrrole-2,5-dione?
1-(2-hydroxy-2-methylpropyl)-3-methylpyrrole-2,5-dione has a molecular weight of 183.21 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylpropyl)-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 65117760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).