1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one;hydrochloride

C8H16ClNO2 — CID 69256511

IUPAC1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one;hydrochloride
SMILESCC1(C)CC(=O)C(C)(C)N1O.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-7(2)5-6(10)8(3,4)9(7)11;/h11H,5H2,1-4H3;1H
InChIKeyDWCQOKUPCSWFJV-UHFFFAOYSA-N
MW193.67 g/mol
LogP1.63
Rot. Bonds

About 1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one;hydrochloride

1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one;hydrochloride (PubChem CID 69256511) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is 1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one;hydrochloride.

Molecular Properties

Compound Name1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one;hydrochloride
PubChem CID69256511
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one;hydrochloride
SMILESCC1(C)CC(=O)C(C)(C)N1O.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-7(2)5-6(10)8(3,4)9(7)11;/h11H,5H2,1-4H3;1H
InChIKeyDWCQOKUPCSWFJV-UHFFFAOYSA-N
XLogP1.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one;hydrochloride?
The IUPAC name of 1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one;hydrochloride (CID 69256511) is 1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one;hydrochloride.
What is the SMILES notation for 1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one;hydrochloride?
The canonical SMILES for 1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one;hydrochloride is CC1(C)CC(=O)C(C)(C)N1O.Cl.
What is the InChIKey of 1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one;hydrochloride?
The InChIKey is DWCQOKUPCSWFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-7(2)5-6(10)8(3,4)9(7)11;/h11H,5H2,1-4H3;1H.
What are the key properties of 1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one;hydrochloride?
1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one;hydrochloride is sourced from PubChem (CID 69256511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).