2-(methoxymethyl)-2-methyl-1-oxido-1H-pyridin-1-ium

C8H13NO2 — CID 90181592

IUPAC2-(methoxymethyl)-2-methyl-1-oxido-1H-pyridin-1-ium
SMILESCOCC1(C)C=CC=C[NH+]1[O-]
InChIInChI=1S/C8H13NO2/c1-8(7-11-2)5-3-4-6-9(8)10/h3-6,9H,7H2,1-2H3
InChIKeyPOINOAKHAMNKEZ-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.14
Rot. Bonds2

About 2-(methoxymethyl)-2-methyl-1-oxido-1H-pyridin-1-ium

2-(methoxymethyl)-2-methyl-1-oxido-1H-pyridin-1-ium (PubChem CID 90181592) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(methoxymethyl)-2-methyl-1-oxido-1H-pyridin-1-ium.

Molecular Properties

Compound Name2-(methoxymethyl)-2-methyl-1-oxido-1H-pyridin-1-ium
PubChem CID90181592
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-(methoxymethyl)-2-methyl-1-oxido-1H-pyridin-1-ium
SMILESCOCC1(C)C=CC=C[NH+]1[O-]
InChIInChI=1S/C8H13NO2/c1-8(7-11-2)5-3-4-6-9(8)10/h3-6,9H,7H2,1-2H3
InChIKeyPOINOAKHAMNKEZ-UHFFFAOYSA-N
XLogP-0.14
TPSA36.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-2-methyl-1-oxido-1H-pyridin-1-ium?
The IUPAC name of 2-(methoxymethyl)-2-methyl-1-oxido-1H-pyridin-1-ium (CID 90181592) is 2-(methoxymethyl)-2-methyl-1-oxido-1H-pyridin-1-ium.
What is the SMILES notation for 2-(methoxymethyl)-2-methyl-1-oxido-1H-pyridin-1-ium?
The canonical SMILES for 2-(methoxymethyl)-2-methyl-1-oxido-1H-pyridin-1-ium is COCC1(C)C=CC=C[NH+]1[O-].
What is the InChIKey of 2-(methoxymethyl)-2-methyl-1-oxido-1H-pyridin-1-ium?
The InChIKey is POINOAKHAMNKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-8(7-11-2)5-3-4-6-9(8)10/h3-6,9H,7H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-2-methyl-1-oxido-1H-pyridin-1-ium?
2-(methoxymethyl)-2-methyl-1-oxido-1H-pyridin-1-ium has a molecular weight of 155.20 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2-methyl-1-oxido-1H-pyridin-1-ium is sourced from PubChem (CID 90181592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).