1-(2,2,5,5-tetramethyl-1-oxidopyrrolidin-1-ium-3-yl)ethanone

C10H19NO2 — CID 23383747

IUPAC1-(2,2,5,5-tetramethyl-1-oxidopyrrolidin-1-ium-3-yl)ethanone
SMILESCC(=O)C1CC(C)(C)[NH+]([O-])C1(C)C
InChIInChI=1S/C10H19NO2/c1-7(12)8-6-9(2,3)11(13)10(8,4)5/h8,11H,6H2,1-5H3
InChIKeyIHTGCTQDQDUYAO-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.54
Rot. Bonds1

About 1-(2,2,5,5-tetramethyl-1-oxidopyrrolidin-1-ium-3-yl)ethanone

1-(2,2,5,5-tetramethyl-1-oxidopyrrolidin-1-ium-3-yl)ethanone (PubChem CID 23383747) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(2,2,5,5-tetramethyl-1-oxidopyrrolidin-1-ium-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,2,5,5-tetramethyl-1-oxidopyrrolidin-1-ium-3-yl)ethanone
PubChem CID23383747
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(2,2,5,5-tetramethyl-1-oxidopyrrolidin-1-ium-3-yl)ethanone
SMILESCC(=O)C1CC(C)(C)[NH+]([O-])C1(C)C
InChIInChI=1S/C10H19NO2/c1-7(12)8-6-9(2,3)11(13)10(8,4)5/h8,11H,6H2,1-5H3
InChIKeyIHTGCTQDQDUYAO-UHFFFAOYSA-N
XLogP0.54
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,5,5-tetramethyl-1-oxidopyrrolidin-1-ium-3-yl)ethanone?
The IUPAC name of 1-(2,2,5,5-tetramethyl-1-oxidopyrrolidin-1-ium-3-yl)ethanone (CID 23383747) is 1-(2,2,5,5-tetramethyl-1-oxidopyrrolidin-1-ium-3-yl)ethanone.
What is the SMILES notation for 1-(2,2,5,5-tetramethyl-1-oxidopyrrolidin-1-ium-3-yl)ethanone?
The canonical SMILES for 1-(2,2,5,5-tetramethyl-1-oxidopyrrolidin-1-ium-3-yl)ethanone is CC(=O)C1CC(C)(C)[NH+]([O-])C1(C)C.
What is the InChIKey of 1-(2,2,5,5-tetramethyl-1-oxidopyrrolidin-1-ium-3-yl)ethanone?
The InChIKey is IHTGCTQDQDUYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(12)8-6-9(2,3)11(13)10(8,4)5/h8,11H,6H2,1-5H3.
What are the key properties of 1-(2,2,5,5-tetramethyl-1-oxidopyrrolidin-1-ium-3-yl)ethanone?
1-(2,2,5,5-tetramethyl-1-oxidopyrrolidin-1-ium-3-yl)ethanone has a molecular weight of 185.27 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,5,5-tetramethyl-1-oxidopyrrolidin-1-ium-3-yl)ethanone is sourced from PubChem (CID 23383747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).