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

C10H16N2 — CID 89069785

IUPAC3-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine
SMILESCN1CCC[C@H]1C1C=CC=NC1
InChIInChI=1S/C10H16N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,9-10H,3,5,7-8H2,1H3/t9?,10-/m0/s1
InChIKeyDBEQWMVXWSFQSH-AXDSSHIGSA-N
MW164.25 g/mol
LogP1.34
Rot. Bonds1

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

3-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine (PubChem CID 89069785) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine.

Molecular Properties

Compound Name3-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine
PubChem CID89069785
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine
SMILESCN1CCC[C@H]1C1C=CC=NC1
InChIInChI=1S/C10H16N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,9-10H,3,5,7-8H2,1H3/t9?,10-/m0/s1
InChIKeyDBEQWMVXWSFQSH-AXDSSHIGSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine?
The IUPAC name of 3-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine (CID 89069785) is 3-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine.
What is the SMILES notation for 3-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine?
The canonical SMILES for 3-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine is CN1CCC[C@H]1C1C=CC=NC1.
What is the InChIKey of 3-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine?
The InChIKey is DBEQWMVXWSFQSH-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H16N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,9-10H,3,5,7-8H2,1H3/t9?,10-/m0/s1.
What are the key properties of 3-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine?
3-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine has a molecular weight of 164.25 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydropyridine is sourced from PubChem (CID 89069785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).