1-methyl-3,6-dihydro-2H-pyridine;1-methylpyridin-1-ium

C12H19N2+ — CID 161207687

IUPAC1-methyl-3,6-dihydro-2H-pyridine;1-methylpyridin-1-ium
SMILESCN1CC=CCC1.C[n+]1ccccc1
InChIInChI=1S/C6H11N.C6H8N/c2*1-7-5-3-2-4-6-7/h2-3H,4-6H2,1H3;2-6H,1H3/q;+1
InChIKeyUVVBMQVHJDIGLR-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.39
Rot. Bonds

About 1-methyl-3,6-dihydro-2H-pyridine;1-methylpyridin-1-ium

1-methyl-3,6-dihydro-2H-pyridine;1-methylpyridin-1-ium (PubChem CID 161207687) has the molecular formula C12H19N2+ and a molecular weight of 191.30 g/mol. Its IUPAC name is 1-methyl-3,6-dihydro-2H-pyridine;1-methylpyridin-1-ium.

Molecular Properties

Compound Name1-methyl-3,6-dihydro-2H-pyridine;1-methylpyridin-1-ium
PubChem CID161207687
Molecular FormulaC12H19N2+
Molecular Weight191.30 g/mol
Exact Mass191.15
IUPAC Name1-methyl-3,6-dihydro-2H-pyridine;1-methylpyridin-1-ium
SMILESCN1CC=CCC1.C[n+]1ccccc1
InChIInChI=1S/C6H11N.C6H8N/c2*1-7-5-3-2-4-6-7/h2-3H,4-6H2,1H3;2-6H,1H3/q;+1
InChIKeyUVVBMQVHJDIGLR-UHFFFAOYSA-N
XLogP1.39
TPSA7.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,6-dihydro-2H-pyridine;1-methylpyridin-1-ium?
The IUPAC name of 1-methyl-3,6-dihydro-2H-pyridine;1-methylpyridin-1-ium (CID 161207687) is 1-methyl-3,6-dihydro-2H-pyridine;1-methylpyridin-1-ium.
What is the SMILES notation for 1-methyl-3,6-dihydro-2H-pyridine;1-methylpyridin-1-ium?
The canonical SMILES for 1-methyl-3,6-dihydro-2H-pyridine;1-methylpyridin-1-ium is CN1CC=CCC1.C[n+]1ccccc1.
What is the InChIKey of 1-methyl-3,6-dihydro-2H-pyridine;1-methylpyridin-1-ium?
The InChIKey is UVVBMQVHJDIGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C6H8N/c2*1-7-5-3-2-4-6-7/h2-3H,4-6H2,1H3;2-6H,1H3/q;+1.
What are the key properties of 1-methyl-3,6-dihydro-2H-pyridine;1-methylpyridin-1-ium?
1-methyl-3,6-dihydro-2H-pyridine;1-methylpyridin-1-ium has a molecular weight of 191.30 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,6-dihydro-2H-pyridine;1-methylpyridin-1-ium is sourced from PubChem (CID 161207687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).