4-(1-methanidylpyrrolidin-1-ium-2-yl)pyridine

C10H14N2 — CID 140732900

IUPAC4-(1-methanidylpyrrolidin-1-ium-2-yl)pyridine
SMILES[CH2-][NH+]1CCCC1c1ccncc1
InChIInChI=1S/C10H14N2/c1-12-8-2-3-10(12)9-4-6-11-7-5-9/h4-7,10,12H,1-3,8H2
InChIKeyQDKUXNUGEODMNM-UHFFFAOYSA-N
MW162.24 g/mol
LogP0.59
Rot. Bonds1

About 4-(1-methanidylpyrrolidin-1-ium-2-yl)pyridine

4-(1-methanidylpyrrolidin-1-ium-2-yl)pyridine (PubChem CID 140732900) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 4-(1-methanidylpyrrolidin-1-ium-2-yl)pyridine.

Molecular Properties

Compound Name4-(1-methanidylpyrrolidin-1-ium-2-yl)pyridine
PubChem CID140732900
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name4-(1-methanidylpyrrolidin-1-ium-2-yl)pyridine
SMILES[CH2-][NH+]1CCCC1c1ccncc1
InChIInChI=1S/C10H14N2/c1-12-8-2-3-10(12)9-4-6-11-7-5-9/h4-7,10,12H,1-3,8H2
InChIKeyQDKUXNUGEODMNM-UHFFFAOYSA-N
XLogP0.59
TPSA17.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methanidylpyrrolidin-1-ium-2-yl)pyridine?
The IUPAC name of 4-(1-methanidylpyrrolidin-1-ium-2-yl)pyridine (CID 140732900) is 4-(1-methanidylpyrrolidin-1-ium-2-yl)pyridine.
What is the SMILES notation for 4-(1-methanidylpyrrolidin-1-ium-2-yl)pyridine?
The canonical SMILES for 4-(1-methanidylpyrrolidin-1-ium-2-yl)pyridine is [CH2-][NH+]1CCCC1c1ccncc1.
What is the InChIKey of 4-(1-methanidylpyrrolidin-1-ium-2-yl)pyridine?
The InChIKey is QDKUXNUGEODMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-12-8-2-3-10(12)9-4-6-11-7-5-9/h4-7,10,12H,1-3,8H2.
What are the key properties of 4-(1-methanidylpyrrolidin-1-ium-2-yl)pyridine?
4-(1-methanidylpyrrolidin-1-ium-2-yl)pyridine has a molecular weight of 162.24 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methanidylpyrrolidin-1-ium-2-yl)pyridine is sourced from PubChem (CID 140732900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).