(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy-methoxy-oxoazanium

C9H19N2O4+ — CID 90390531

IUPAC(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy-methoxy-oxoazanium
SMILESCO[N+](=O)OC1CC(C)(C)N(O)C1(C)C
InChIInChI=1S/C9H19N2O4/c1-8(2)6-7(15-11(13)14-5)9(3,4)10(8)12/h7,12H,6H2,1-5H3/q+1
InChIKeyRWVLYQODZVVPNB-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.28
Rot. Bonds3

About (1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy-methoxy-oxoazanium

(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy-methoxy-oxoazanium (PubChem CID 90390531) has the molecular formula C9H19N2O4+ and a molecular weight of 219.26 g/mol. Its IUPAC name is (1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy-methoxy-oxoazanium.

Molecular Properties

Compound Name(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy-methoxy-oxoazanium
PubChem CID90390531
Molecular FormulaC9H19N2O4+
Molecular Weight219.26 g/mol
Exact Mass219.13
IUPAC Name(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy-methoxy-oxoazanium
SMILESCO[N+](=O)OC1CC(C)(C)N(O)C1(C)C
InChIInChI=1S/C9H19N2O4/c1-8(2)6-7(15-11(13)14-5)9(3,4)10(8)12/h7,12H,6H2,1-5H3/q+1
InChIKeyRWVLYQODZVVPNB-UHFFFAOYSA-N
XLogP1.28
TPSA62.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy-methoxy-oxoazanium?
The IUPAC name of (1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy-methoxy-oxoazanium (CID 90390531) is (1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy-methoxy-oxoazanium.
What is the SMILES notation for (1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy-methoxy-oxoazanium?
The canonical SMILES for (1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy-methoxy-oxoazanium is CO[N+](=O)OC1CC(C)(C)N(O)C1(C)C.
What is the InChIKey of (1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy-methoxy-oxoazanium?
The InChIKey is RWVLYQODZVVPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2O4/c1-8(2)6-7(15-11(13)14-5)9(3,4)10(8)12/h7,12H,6H2,1-5H3/q+1.
What are the key properties of (1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy-methoxy-oxoazanium?
(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy-methoxy-oxoazanium has a molecular weight of 219.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy-methoxy-oxoazanium is sourced from PubChem (CID 90390531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).