5-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine

C10H16N2 — CID 89056573

IUPAC5-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine
SMILESCN1CCC[C@H]1C1=CCCN=C1
InChIInChI=1S/C10H16N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h4,8,10H,2-3,5-7H2,1H3/t10-/m0/s1
InChIKeyNNMNNPXXCAYODW-JTQLQIEISA-N
MW164.25 g/mol
LogP1.48
Rot. Bonds1

About 5-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine

5-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine (PubChem CID 89056573) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine.

Molecular Properties

Compound Name5-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine
PubChem CID89056573
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name5-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine
SMILESCN1CCC[C@H]1C1=CCCN=C1
InChIInChI=1S/C10H16N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h4,8,10H,2-3,5-7H2,1H3/t10-/m0/s1
InChIKeyNNMNNPXXCAYODW-JTQLQIEISA-N
XLogP1.48
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine?
The IUPAC name of 5-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine (CID 89056573) is 5-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine.
What is the SMILES notation for 5-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine?
The canonical SMILES for 5-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine is CN1CCC[C@H]1C1=CCCN=C1.
What is the InChIKey of 5-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine?
The InChIKey is NNMNNPXXCAYODW-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h4,8,10H,2-3,5-7H2,1H3/t10-/m0/s1.
What are the key properties of 5-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine?
5-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine has a molecular weight of 164.25 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine is sourced from PubChem (CID 89056573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).