5-[(2S)-1-methylpyrrolidin-1-ium-2-yl]-2,5-dihydropyridine

C10H17N2+ — CID 90658036

IUPAC5-[(2S)-1-methylpyrrolidin-1-ium-2-yl]-2,5-dihydropyridine
SMILESC[NH+]1CCC[C@H]1C1C=CCN=C1
InChIInChI=1S/C10H16N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,8-10H,3,5-7H2,1H3/p+1/t9?,10-/m0/s1
InChIKeyFHQCTCOXKBQXGN-AXDSSHIGSA-O
MW165.26 g/mol
LogP-0.08
Rot. Bonds1

About 5-[(2S)-1-methylpyrrolidin-1-ium-2-yl]-2,5-dihydropyridine

5-[(2S)-1-methylpyrrolidin-1-ium-2-yl]-2,5-dihydropyridine (PubChem CID 90658036) has the molecular formula C10H17N2+ and a molecular weight of 165.26 g/mol. Its IUPAC name is 5-[(2S)-1-methylpyrrolidin-1-ium-2-yl]-2,5-dihydropyridine.

Molecular Properties

Compound Name5-[(2S)-1-methylpyrrolidin-1-ium-2-yl]-2,5-dihydropyridine
PubChem CID90658036
Molecular FormulaC10H17N2+
Molecular Weight165.26 g/mol
Exact Mass165.14
IUPAC Name5-[(2S)-1-methylpyrrolidin-1-ium-2-yl]-2,5-dihydropyridine
SMILESC[NH+]1CCC[C@H]1C1C=CCN=C1
InChIInChI=1S/C10H16N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,8-10H,3,5-7H2,1H3/p+1/t9?,10-/m0/s1
InChIKeyFHQCTCOXKBQXGN-AXDSSHIGSA-O
XLogP-0.08
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-methylpyrrolidin-1-ium-2-yl]-2,5-dihydropyridine?
The IUPAC name of 5-[(2S)-1-methylpyrrolidin-1-ium-2-yl]-2,5-dihydropyridine (CID 90658036) is 5-[(2S)-1-methylpyrrolidin-1-ium-2-yl]-2,5-dihydropyridine.
What is the SMILES notation for 5-[(2S)-1-methylpyrrolidin-1-ium-2-yl]-2,5-dihydropyridine?
The canonical SMILES for 5-[(2S)-1-methylpyrrolidin-1-ium-2-yl]-2,5-dihydropyridine is C[NH+]1CCC[C@H]1C1C=CCN=C1.
What is the InChIKey of 5-[(2S)-1-methylpyrrolidin-1-ium-2-yl]-2,5-dihydropyridine?
The InChIKey is FHQCTCOXKBQXGN-AXDSSHIGSA-O. The full InChI is InChI=1S/C10H16N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,8-10H,3,5-7H2,1H3/p+1/t9?,10-/m0/s1.
What are the key properties of 5-[(2S)-1-methylpyrrolidin-1-ium-2-yl]-2,5-dihydropyridine?
5-[(2S)-1-methylpyrrolidin-1-ium-2-yl]-2,5-dihydropyridine has a molecular weight of 165.26 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-methylpyrrolidin-1-ium-2-yl]-2,5-dihydropyridine is sourced from PubChem (CID 90658036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).