2-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]pyridine

C10H15N2+ — CID 7047988

IUPAC2-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]pyridine
SMILESc1ccc(C[C@@H]2CCC[NH2+]2)nc1
InChIInChI=1S/C10H14N2/c1-2-6-11-9(4-1)8-10-5-3-7-12-10/h1-2,4,6,10,12H,3,5,7-8H2/p+1/t10-/m0/s1
InChIKeyHAPUOOBIEAPWAZ-JTQLQIEISA-O
MW163.24 g/mol
LogP0.35
Rot. Bonds2

About 2-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]pyridine

2-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]pyridine (PubChem CID 7047988) has the molecular formula C10H15N2+ and a molecular weight of 163.24 g/mol. Its IUPAC name is 2-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]pyridine
PubChem CID7047988
Molecular FormulaC10H15N2+
Molecular Weight163.24 g/mol
Exact Mass163.12
IUPAC Name2-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]pyridine
SMILESc1ccc(C[C@@H]2CCC[NH2+]2)nc1
InChIInChI=1S/C10H14N2/c1-2-6-11-9(4-1)8-10-5-3-7-12-10/h1-2,4,6,10,12H,3,5,7-8H2/p+1/t10-/m0/s1
InChIKeyHAPUOOBIEAPWAZ-JTQLQIEISA-O
XLogP0.35
TPSA29.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]pyridine?
The IUPAC name of 2-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]pyridine (CID 7047988) is 2-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]pyridine.
What is the SMILES notation for 2-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]pyridine?
The canonical SMILES for 2-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]pyridine is c1ccc(C[C@@H]2CCC[NH2+]2)nc1.
What is the InChIKey of 2-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]pyridine?
The InChIKey is HAPUOOBIEAPWAZ-JTQLQIEISA-O. The full InChI is InChI=1S/C10H14N2/c1-2-6-11-9(4-1)8-10-5-3-7-12-10/h1-2,4,6,10,12H,3,5,7-8H2/p+1/t10-/m0/s1.
What are the key properties of 2-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]pyridine?
2-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]pyridine has a molecular weight of 163.24 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]pyridine is sourced from PubChem (CID 7047988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).