3-(1-methoxy-1-methylpyrrolidin-1-ium-2-yl)pyridine

C11H17N2O+ — CID 123680391

IUPAC3-(1-methoxy-1-methylpyrrolidin-1-ium-2-yl)pyridine
SMILESCO[N+]1(C)CCCC1c1cccnc1
InChIInChI=1S/C11H17N2O/c1-13(14-2)8-4-6-11(13)10-5-3-7-12-9-10/h3,5,7,9,11H,4,6,8H2,1-2H3/q+1
InChIKeyPWFIGLHPXFNYMR-UHFFFAOYSA-N
MW193.27 g/mol
LogP1.92
Rot. Bonds2

About 3-(1-methoxy-1-methylpyrrolidin-1-ium-2-yl)pyridine

3-(1-methoxy-1-methylpyrrolidin-1-ium-2-yl)pyridine (PubChem CID 123680391) has the molecular formula C11H17N2O+ and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-(1-methoxy-1-methylpyrrolidin-1-ium-2-yl)pyridine.

Molecular Properties

Compound Name3-(1-methoxy-1-methylpyrrolidin-1-ium-2-yl)pyridine
PubChem CID123680391
Molecular FormulaC11H17N2O+
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name3-(1-methoxy-1-methylpyrrolidin-1-ium-2-yl)pyridine
SMILESCO[N+]1(C)CCCC1c1cccnc1
InChIInChI=1S/C11H17N2O/c1-13(14-2)8-4-6-11(13)10-5-3-7-12-9-10/h3,5,7,9,11H,4,6,8H2,1-2H3/q+1
InChIKeyPWFIGLHPXFNYMR-UHFFFAOYSA-N
XLogP1.92
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-[(1S,2S)-1-methyl-1-[2-[(1S,2S)-1-methyl-2-pyridin-3-ylpyrrolidin-1-ium-1-yl]ethyl]pyrrolidin-1-ium-2-yl]pyridine
CID 53298736
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1-methyl-2-pyridin-3-ylpyrrolidin-1-ium-1-yl)oxyoxane-2-carboxylic acid
CID 91802206
3-[1-(2-chloro-3-methoxyphenyl)-1-methylpyrrolidin-1-ium-2-yl]pyridine
CID 123600659
1,1-dimethyl-5-pyridin-3-ylpyrrolidin-1-ium-2-one
CID 14767414
1,3,7-trimethyl-8-[(1-methyl-2-pyridin-3-ylpyrrolidin-1-ium-1-yl)methyl]purine-2,6-dione
CID 153454337
3,4-dihydroxy-6-(1-methyl-2-pyridin-3-ylpyrrolidin-1-ium-1-yl)-5-(3,4,5,6-tetrahydroxyoxan-2-yl)oxyoxane-2-carboxylic acid chloride
CID 139595054
3-[(2S)-1-ethyl-1-methyl-3,6-dihydro-2H-pyridin-1-ium-2-yl]pyridine
CID 154957691
3-(1-methylpiperidin-3-yl)pyridine
CID 118883076
3-(1,1-dimethylpiperidin-1-ium-2-yl)pyridine;3-methyl-2,4,6-trinitrophenolate
CID 16637792
3-(2-methylcyclobutyl)pyridine
CID 174716389
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxy-1-methylpyrrolidin-1-ium-2-yl)pyridine?
The IUPAC name of 3-(1-methoxy-1-methylpyrrolidin-1-ium-2-yl)pyridine (CID 123680391) is 3-(1-methoxy-1-methylpyrrolidin-1-ium-2-yl)pyridine.
What is the SMILES notation for 3-(1-methoxy-1-methylpyrrolidin-1-ium-2-yl)pyridine?
The canonical SMILES for 3-(1-methoxy-1-methylpyrrolidin-1-ium-2-yl)pyridine is CO[N+]1(C)CCCC1c1cccnc1.
What is the InChIKey of 3-(1-methoxy-1-methylpyrrolidin-1-ium-2-yl)pyridine?
The InChIKey is PWFIGLHPXFNYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N2O/c1-13(14-2)8-4-6-11(13)10-5-3-7-12-9-10/h3,5,7,9,11H,4,6,8H2,1-2H3/q+1.
What are the key properties of 3-(1-methoxy-1-methylpyrrolidin-1-ium-2-yl)pyridine?
3-(1-methoxy-1-methylpyrrolidin-1-ium-2-yl)pyridine has a molecular weight of 193.27 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxy-1-methylpyrrolidin-1-ium-2-yl)pyridine is sourced from PubChem (CID 123680391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).