3-(1-methyl-1-oxidopyrrolidin-1-ium-2-yl)pyridine

C10H14N2O — CID 409

IUPAC3-(1-methyl-1-oxidopyrrolidin-1-ium-2-yl)pyridine
SMILESC[N+]1([O-])CCCC1c1cccnc1
InChIInChI=1S/C10H14N2O/c1-12(13)7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3
InChIKeyRWFBQHICRCUQJJ-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.86
Rot. Bonds1

About 3-(1-methyl-1-oxidopyrrolidin-1-ium-2-yl)pyridine

3-(1-methyl-1-oxidopyrrolidin-1-ium-2-yl)pyridine (PubChem CID 409) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-(1-methyl-1-oxidopyrrolidin-1-ium-2-yl)pyridine.

Molecular Properties

Compound Name3-(1-methyl-1-oxidopyrrolidin-1-ium-2-yl)pyridine
PubChem CID409
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name3-(1-methyl-1-oxidopyrrolidin-1-ium-2-yl)pyridine
SMILESC[N+]1([O-])CCCC1c1cccnc1
InChIInChI=1S/C10H14N2O/c1-12(13)7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3
InChIKeyRWFBQHICRCUQJJ-UHFFFAOYSA-N
XLogP1.86
TPSA35.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.86
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

Nicotine
CID 89594
Cotinine
CID 854019
Anabasine
CID 205586
Nornicotine
CID 91462
Triprolidine
CID 5282443
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Anabasine
CID 2181
Myosmine
CID 442649
Triprolidine Hydrochloride Anhydrous
CID 5702129
N-Nitrosonornicotine
CID 12613538
5-Ethyl-2-methylpyridine
CID 7728

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-1-oxidopyrrolidin-1-ium-2-yl)pyridine?
The IUPAC name of 3-(1-methyl-1-oxidopyrrolidin-1-ium-2-yl)pyridine (CID 409) is 3-(1-methyl-1-oxidopyrrolidin-1-ium-2-yl)pyridine.
What is the SMILES notation for 3-(1-methyl-1-oxidopyrrolidin-1-ium-2-yl)pyridine?
The canonical SMILES for 3-(1-methyl-1-oxidopyrrolidin-1-ium-2-yl)pyridine is C[N+]1([O-])CCCC1c1cccnc1.
What is the InChIKey of 3-(1-methyl-1-oxidopyrrolidin-1-ium-2-yl)pyridine?
The InChIKey is RWFBQHICRCUQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-12(13)7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3.
What are the key properties of 3-(1-methyl-1-oxidopyrrolidin-1-ium-2-yl)pyridine?
3-(1-methyl-1-oxidopyrrolidin-1-ium-2-yl)pyridine has a molecular weight of 178.24 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-1-oxidopyrrolidin-1-ium-2-yl)pyridine is sourced from PubChem (CID 409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).