1,2,2-trimethyl-4-pyrrolidin-1-yl-3H-pyridin-1-ium

C₁₂H₂₁N₂+ — CID 146657855

About 1,2,2-trimethyl-4-pyrrolidin-1-yl-3H-pyridin-1-ium

1,2,2-trimethyl-4-pyrrolidin-1-yl-3H-pyridin-1-ium (PubChem CID 146657855) has the molecular formula C₁₂H₂₁N₂+ and a molecular weight of 193.31 g/mol. Its IUPAC name is 1,2,2-trimethyl-4-pyrrolidin-1-yl-3H-pyridin-1-ium.

Molecular Properties

• Compound Name: 1,2,2-trimethyl-4-pyrrolidin-1-yl-3H-pyridin-1-ium
• PubChem CID: 146657855
• Molecular Formula: C₁₂H₂₁N₂+
• Molecular Weight: 193.31 g/mol
• Exact Mass: 193.17
• IUPAC Name: 1,2,2-trimethyl-4-pyrrolidin-1-yl-3H-pyridin-1-ium
• SMILES: C[N+]1=CC=C(N2CCCC2)CC1(C)C
• InChI: InChI=1S/C12H21N2/c1-12(2)10-11(6-9-13(12)3)14-7-4-5-8-14/h6,9H,4-5,7-8,10H2,1-3H3/q+1
• InChIKey: QVHRHGANHOMUOJ-UHFFFAOYSA-N
• XLogP: 1.86
• TPSA: 6.25 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	193.31
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethyl-4-pyrrolidin-1-yl-3H-pyridin-1-ium?

The IUPAC name of 1,2,2-trimethyl-4-pyrrolidin-1-yl-3H-pyridin-1-ium (CID 146657855) is 1,2,2-trimethyl-4-pyrrolidin-1-yl-3H-pyridin-1-ium.

What is the SMILES notation for 1,2,2-trimethyl-4-pyrrolidin-1-yl-3H-pyridin-1-ium?

The canonical SMILES for 1,2,2-trimethyl-4-pyrrolidin-1-yl-3H-pyridin-1-ium is C[N+]1=CC=C(N2CCCC2)CC1(C)C.

What is the InChIKey of 1,2,2-trimethyl-4-pyrrolidin-1-yl-3H-pyridin-1-ium?

The InChIKey is QVHRHGANHOMUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N2/c1-12(2)10-11(6-9-13(12)3)14-7-4-5-8-14/h6,9H,4-5,7-8,10H2,1-3H3/q+1.

What are the key properties of 1,2,2-trimethyl-4-pyrrolidin-1-yl-3H-pyridin-1-ium?

1,2,2-trimethyl-4-pyrrolidin-1-yl-3H-pyridin-1-ium has a molecular weight of 193.31 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,2-trimethyl-4-pyrrolidin-1-yl-3H-pyridin-1-ium is sourced from PubChem (CID 146657855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146657855 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.