4-Acetamido-TEMPO

C11H21N2O2 — CID 518988

IUPAC—
SMILESCC(=O)NC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C11H21N2O2/c1-8(14)12-9-6-10(2,3)13(15)11(4,5)7-9/h9H,6-7H2,1-5H3,(H,12,14)
InChIKeyUXBLSWOMIHTQPH-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.49
Rot. Bonds1

About 4-Acetamido-TEMPO

4-Acetamido-TEMPO (PubChem CID 518988) has the molecular formula C11H21N2O2 and a molecular weight of 213.30 g/mol.

Molecular Properties

Compound Name4-Acetamido-TEMPO
PubChem CID518988
Molecular FormulaC11H21N2O2
Molecular Weight213.30 g/mol
Exact Mass213.16
IUPAC Name—
SMILESCC(=O)NC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C11H21N2O2/c1-8(14)12-9-6-10(2,3)13(15)11(4,5)7-9/h9H,6-7H2,1-5H3,(H,12,14)
InChIKeyUXBLSWOMIHTQPH-UHFFFAOYSA-N
XLogP1.49
TPSA52.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-Acetamido-TEMPO?
The IUPAC name of 4-Acetamido-TEMPO (CID 518988) is not available.
What is the SMILES notation for 4-Acetamido-TEMPO?
The canonical SMILES for 4-Acetamido-TEMPO is CC(=O)NC1CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of 4-Acetamido-TEMPO?
The InChIKey is UXBLSWOMIHTQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N2O2/c1-8(14)12-9-6-10(2,3)13(15)11(4,5)7-9/h9H,6-7H2,1-5H3,(H,12,14).
What are the key properties of 4-Acetamido-TEMPO?
4-Acetamido-TEMPO has a molecular weight of 213.30 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Acetamido-TEMPO is sourced from PubChem (CID 518988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).