1-(2-hydroxy-2,4-dimethylpentyl)pyrrolidine-2,5-dione

C11H19NO3 — CID 66180583

IUPAC1-(2-hydroxy-2,4-dimethylpentyl)pyrrolidine-2,5-dione
SMILESCC(C)CC(C)(O)CN1C(=O)CCC1=O
InChIInChI=1S/C11H19NO3/c1-8(2)6-11(3,15)7-12-9(13)4-5-10(12)14/h8,15H,4-7H2,1-3H3
InChIKeyVSPVFBSZOUDCQN-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.93
Rot. Bonds4

About 1-(2-hydroxy-2,4-dimethylpentyl)pyrrolidine-2,5-dione

1-(2-hydroxy-2,4-dimethylpentyl)pyrrolidine-2,5-dione (PubChem CID 66180583) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(2-hydroxy-2,4-dimethylpentyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxy-2,4-dimethylpentyl)pyrrolidine-2,5-dione
PubChem CID66180583
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-(2-hydroxy-2,4-dimethylpentyl)pyrrolidine-2,5-dione
SMILESCC(C)CC(C)(O)CN1C(=O)CCC1=O
InChIInChI=1S/C11H19NO3/c1-8(2)6-11(3,15)7-12-9(13)4-5-10(12)14/h8,15H,4-7H2,1-3H3
InChIKeyVSPVFBSZOUDCQN-UHFFFAOYSA-N
XLogP0.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-hydroxy-2,4-dimethylpentyl)pyrrolidine-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-2,4-dimethylpentyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-hydroxy-2,4-dimethylpentyl)pyrrolidine-2,5-dione (CID 66180583) is 1-(2-hydroxy-2,4-dimethylpentyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-hydroxy-2,4-dimethylpentyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-hydroxy-2,4-dimethylpentyl)pyrrolidine-2,5-dione is CC(C)CC(C)(O)CN1C(=O)CCC1=O.
What is the InChIKey of 1-(2-hydroxy-2,4-dimethylpentyl)pyrrolidine-2,5-dione?
The InChIKey is VSPVFBSZOUDCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(2)6-11(3,15)7-12-9(13)4-5-10(12)14/h8,15H,4-7H2,1-3H3.
What are the key properties of 1-(2-hydroxy-2,4-dimethylpentyl)pyrrolidine-2,5-dione?
1-(2-hydroxy-2,4-dimethylpentyl)pyrrolidine-2,5-dione has a molecular weight of 213.28 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2,4-dimethylpentyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 66180583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).