1-(3-hydroxy-3-methylbutyl)-3,3-dimethylpyrrolidine-2,5-dione

C11H19NO3 — CID 79360715

IUPAC1-(3-hydroxy-3-methylbutyl)-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC(C)(O)CCN1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C11H19NO3/c1-10(2)7-8(13)12(9(10)14)6-5-11(3,4)15/h15H,5-7H2,1-4H3
InChIKeyWQRHAWFMRSHGDE-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.93
Rot. Bonds3

About 1-(3-hydroxy-3-methylbutyl)-3,3-dimethylpyrrolidine-2,5-dione

1-(3-hydroxy-3-methylbutyl)-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 79360715) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(3-hydroxy-3-methylbutyl)-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-hydroxy-3-methylbutyl)-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID79360715
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-(3-hydroxy-3-methylbutyl)-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC(C)(O)CCN1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C11H19NO3/c1-10(2)7-8(13)12(9(10)14)6-5-11(3,4)15/h15H,5-7H2,1-4H3
InChIKeyWQRHAWFMRSHGDE-UHFFFAOYSA-N
XLogP0.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-methylbutyl)-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3-hydroxy-3-methylbutyl)-3,3-dimethylpyrrolidine-2,5-dione (CID 79360715) is 1-(3-hydroxy-3-methylbutyl)-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-hydroxy-3-methylbutyl)-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-hydroxy-3-methylbutyl)-3,3-dimethylpyrrolidine-2,5-dione is CC(C)(O)CCN1C(=O)CC(C)(C)C1=O.
What is the InChIKey of 1-(3-hydroxy-3-methylbutyl)-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is WQRHAWFMRSHGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-10(2)7-8(13)12(9(10)14)6-5-11(3,4)15/h15H,5-7H2,1-4H3.
What are the key properties of 1-(3-hydroxy-3-methylbutyl)-3,3-dimethylpyrrolidine-2,5-dione?
1-(3-hydroxy-3-methylbutyl)-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 213.28 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-methylbutyl)-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 79360715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).