N-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-1-ium-3-yl)methyl]acetamide chloride

C11H23ClN2O2 — CID 139244703

IUPACN-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-1-ium-3-yl)methyl]acetamide chloride
SMILESCC(=O)NCC1CC(C)(C)[NH+](O)C1(C)C.[Cl-]
InChIInChI=1S/C11H22N2O2.ClH/c1-8(14)12-7-9-6-10(2,3)13(15)11(9,4)5;/h9,15H,6-7H2,1-5H3,(H,12,14);1H
InChIKeyNPKRDDMRPZBPLN-UHFFFAOYSA-N
MW250.77 g/mol
LogP-3.02
Rot. Bonds2

About N-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-1-ium-3-yl)methyl]acetamide chloride

N-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-1-ium-3-yl)methyl]acetamide chloride (PubChem CID 139244703) has the molecular formula C11H23ClN2O2 and a molecular weight of 250.77 g/mol. Its IUPAC name is N-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-1-ium-3-yl)methyl]acetamide chloride.

Molecular Properties

Compound NameN-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-1-ium-3-yl)methyl]acetamide chloride
PubChem CID139244703
Molecular FormulaC11H23ClN2O2
Molecular Weight250.77 g/mol
Exact Mass250.14
IUPAC NameN-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-1-ium-3-yl)methyl]acetamide chloride
SMILESCC(=O)NCC1CC(C)(C)[NH+](O)C1(C)C.[Cl-]
InChIInChI=1S/C11H22N2O2.ClH/c1-8(14)12-7-9-6-10(2,3)13(15)11(9,4)5;/h9,15H,6-7H2,1-5H3,(H,12,14);1H
InChIKeyNPKRDDMRPZBPLN-UHFFFAOYSA-N
XLogP-3.02
TPSA53.77 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 5-3.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-1-ium-3-yl)methyl]acetamide chloride?
The IUPAC name of N-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-1-ium-3-yl)methyl]acetamide chloride (CID 139244703) is N-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-1-ium-3-yl)methyl]acetamide chloride.
What is the SMILES notation for N-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-1-ium-3-yl)methyl]acetamide chloride?
The canonical SMILES for N-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-1-ium-3-yl)methyl]acetamide chloride is CC(=O)NCC1CC(C)(C)[NH+](O)C1(C)C.[Cl-].
What is the InChIKey of N-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-1-ium-3-yl)methyl]acetamide chloride?
The InChIKey is NPKRDDMRPZBPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.ClH/c1-8(14)12-7-9-6-10(2,3)13(15)11(9,4)5;/h9,15H,6-7H2,1-5H3,(H,12,14);1H.
What are the key properties of N-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-1-ium-3-yl)methyl]acetamide chloride?
N-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-1-ium-3-yl)methyl]acetamide chloride has a molecular weight of 250.77 g/mol, XLogP of -3.02, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-1-ium-3-yl)methyl]acetamide chloride is sourced from PubChem (CID 139244703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).