1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrrolidine-2,5-dione

C13H23N2O3+ — CID 22089041

IUPAC1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrrolidine-2,5-dione
SMILESCC1(C)CC(N2C(=O)CCC2=O)CC(C)(C)[NH+]1O
InChIInChI=1S/C13H22N2O3/c1-12(2)7-9(8-13(3,4)15(12)18)14-10(16)5-6-11(14)17/h9,18H,5-8H2,1-4H3/p+1
InChIKeyZHMZILPINCAHPK-UHFFFAOYSA-O
MW255.34 g/mol
LogP0.13
Rot. Bonds1

About 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrrolidine-2,5-dione

1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrrolidine-2,5-dione (PubChem CID 22089041) has the molecular formula C13H23N2O3+ and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrrolidine-2,5-dione
PubChem CID22089041
Molecular FormulaC13H23N2O3+
Molecular Weight255.34 g/mol
Exact Mass255.17
IUPAC Name1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrrolidine-2,5-dione
SMILESCC1(C)CC(N2C(=O)CCC2=O)CC(C)(C)[NH+]1O
InChIInChI=1S/C13H22N2O3/c1-12(2)7-9(8-13(3,4)15(12)18)14-10(16)5-6-11(14)17/h9,18H,5-8H2,1-4H3/p+1
InChIKeyZHMZILPINCAHPK-UHFFFAOYSA-O
XLogP0.13
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.13
H-Bond Donors ≤ 52
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-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrrolidine-2,5-dione (CID 22089041) is 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrrolidine-2,5-dione is CC1(C)CC(N2C(=O)CCC2=O)CC(C)(C)[NH+]1O.
What is the InChIKey of 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrrolidine-2,5-dione?
The InChIKey is ZHMZILPINCAHPK-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H22N2O3/c1-12(2)7-9(8-13(3,4)15(12)18)14-10(16)5-6-11(14)17/h9,18H,5-8H2,1-4H3/p+1.
What are the key properties of 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrrolidine-2,5-dione?
1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrrolidine-2,5-dione has a molecular weight of 255.34 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 22089041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).