3-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-4H-pyridine

C11H18N2 — CID 137483518

IUPAC3-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-4H-pyridine
SMILESCN1CCC[C@H]1C1(C)C=NC=CC1
InChIInChI=1S/C11H18N2/c1-11(6-4-7-12-9-11)10-5-3-8-13(10)2/h4,7,9-10H,3,5-6,8H2,1-2H3/t10-,11?/m0/s1
InChIKeyYUYIEUICZYOOMA-VUWPPUDQSA-N
MW178.28 g/mol
LogP2.08
Rot. Bonds1

About 3-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-4H-pyridine

3-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-4H-pyridine (PubChem CID 137483518) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-4H-pyridine.

Molecular Properties

Compound Name3-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-4H-pyridine
PubChem CID137483518
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name3-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-4H-pyridine
SMILESCN1CCC[C@H]1C1(C)C=NC=CC1
InChIInChI=1S/C11H18N2/c1-11(6-4-7-12-9-11)10-5-3-8-13(10)2/h4,7,9-10H,3,5-6,8H2,1-2H3/t10-,11?/m0/s1
InChIKeyYUYIEUICZYOOMA-VUWPPUDQSA-N
XLogP2.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-4H-pyridine?
The IUPAC name of 3-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-4H-pyridine (CID 137483518) is 3-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-4H-pyridine.
What is the SMILES notation for 3-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-4H-pyridine?
The canonical SMILES for 3-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-4H-pyridine is CN1CCC[C@H]1C1(C)C=NC=CC1.
What is the InChIKey of 3-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-4H-pyridine?
The InChIKey is YUYIEUICZYOOMA-VUWPPUDQSA-N. The full InChI is InChI=1S/C11H18N2/c1-11(6-4-7-12-9-11)10-5-3-8-13(10)2/h4,7,9-10H,3,5-6,8H2,1-2H3/t10-,11?/m0/s1.
What are the key properties of 3-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-4H-pyridine?
3-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-4H-pyridine has a molecular weight of 178.28 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-4H-pyridine is sourced from PubChem (CID 137483518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).