hydron;1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one;chloride

C8H16ClNO2 — CID 69047581

IUPAChydron;1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one;chloride
SMILESCC1(C)CC(=O)C(C)(C)N1O.[Cl-].[H+]
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
LogP-1.68
Rot. Bonds

About hydron;1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one;chloride

hydron;1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one;chloride (PubChem CID 69047581) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is hydron;1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one;chloride.

Molecular Properties

Compound Namehydron;1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one;chloride
PubChem CID69047581
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Namehydron;1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one;chloride
SMILESCC1(C)CC(=O)C(C)(C)N1O.[Cl-].[H+]
InChIInChI=1S/C8H15NO2.ClH/c1-7(2)5-6(10)8(3,4)9(7)11;/h11H,5H2,1-4H3;1H
InChIKeyDWCQOKUPCSWFJV-UHFFFAOYSA-N
XLogP-1.68
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 ≤ 5-1.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of hydron;1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one;chloride?
The IUPAC name of hydron;1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one;chloride (CID 69047581) is hydron;1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one;chloride.
What is the SMILES notation for hydron;1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one;chloride?
The canonical SMILES for hydron;1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one;chloride is CC1(C)CC(=O)C(C)(C)N1O.[Cl-].[H+].
What is the InChIKey of hydron;1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one;chloride?
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 hydron;1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one;chloride?
hydron;1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one;chloride has a molecular weight of 193.67 g/mol, XLogP of -1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-one;chloride is sourced from PubChem (CID 69047581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).