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

C11H18N2 — CID 11401103

IUPAC1-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-2H-pyridine
SMILESCN1C=CC=C([C@@H]2CCCN2C)C1
InChIInChI=1S/C11H18N2/c1-12-7-3-5-10(9-12)11-6-4-8-13(11)2/h3,5,7,11H,4,6,8-9H2,1-2H3/t11-/m0/s1
InChIKeyKDTKPIFQMSBEQC-NSHDSACASA-N
MW178.28 g/mol
LogP1.47
Rot. Bonds1

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

1-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-2H-pyridine (PubChem CID 11401103) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-2H-pyridine.

Molecular Properties

Compound Name1-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-2H-pyridine
PubChem CID11401103
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-2H-pyridine
SMILESCN1C=CC=C([C@@H]2CCCN2C)C1
InChIInChI=1S/C11H18N2/c1-12-7-3-5-10(9-12)11-6-4-8-13(11)2/h3,5,7,11H,4,6,8-9H2,1-2H3/t11-/m0/s1
InChIKeyKDTKPIFQMSBEQC-NSHDSACASA-N
XLogP1.47
TPSA6.48 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 ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-2H-pyridine?
The IUPAC name of 1-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-2H-pyridine (CID 11401103) is 1-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-2H-pyridine.
What is the SMILES notation for 1-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-2H-pyridine?
The canonical SMILES for 1-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-2H-pyridine is CN1C=CC=C([C@@H]2CCCN2C)C1.
What is the InChIKey of 1-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-2H-pyridine?
The InChIKey is KDTKPIFQMSBEQC-NSHDSACASA-N. The full InChI is InChI=1S/C11H18N2/c1-12-7-3-5-10(9-12)11-6-4-8-13(11)2/h3,5,7,11H,4,6,8-9H2,1-2H3/t11-/m0/s1.
What are the key properties of 1-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-2H-pyridine?
1-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-2H-pyridine has a molecular weight of 178.28 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]-2H-pyridine is sourced from PubChem (CID 11401103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).