1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3,4-dione

C8H13NO3 — CID 67170396

IUPAC1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3,4-dione
SMILESCC1(C)C(=O)C(=O)C(C)(C)N1O
InChIInChI=1S/C8H13NO3/c1-7(2)5(10)6(11)8(3,4)9(7)12/h12H,1-4H3
InChIKeyXFLBGZDAGDREAS-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.39
Rot. Bonds

About 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3,4-dione

1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3,4-dione (PubChem CID 67170396) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3,4-dione.

Molecular Properties

Compound Name1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3,4-dione
PubChem CID67170396
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3,4-dione
SMILESCC1(C)C(=O)C(=O)C(C)(C)N1O
InChIInChI=1S/C8H13NO3/c1-7(2)5(10)6(11)8(3,4)9(7)12/h12H,1-4H3
InChIKeyXFLBGZDAGDREAS-UHFFFAOYSA-N
XLogP0.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3,4-dione?
The IUPAC name of 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3,4-dione (CID 67170396) is 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3,4-dione.
What is the SMILES notation for 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3,4-dione?
The canonical SMILES for 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3,4-dione is CC1(C)C(=O)C(=O)C(C)(C)N1O.
What is the InChIKey of 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3,4-dione?
The InChIKey is XFLBGZDAGDREAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-7(2)5(10)6(11)8(3,4)9(7)12/h12H,1-4H3.
What are the key properties of 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3,4-dione?
1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3,4-dione has a molecular weight of 171.20 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3,4-dione is sourced from PubChem (CID 67170396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).