2-[(3S)-3-methoxypyrrolidin-1-yl]-3-methylpyridine

C11H16N2O — CID 143449306

IUPAC2-[(3S)-3-methoxypyrrolidin-1-yl]-3-methylpyridine
SMILESCO[C@H]1CCN(c2ncccc2C)C1
InChIInChI=1S/C11H16N2O/c1-9-4-3-6-12-11(9)13-7-5-10(8-13)14-2/h3-4,6,10H,5,7-8H2,1-2H3/t10-/m0/s1
InChIKeyCGSHQYKGTCBJPK-JTQLQIEISA-N
MW192.26 g/mol
LogP1.62
Rot. Bonds2

About 2-[(3S)-3-methoxypyrrolidin-1-yl]-3-methylpyridine

2-[(3S)-3-methoxypyrrolidin-1-yl]-3-methylpyridine (PubChem CID 143449306) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-[(3S)-3-methoxypyrrolidin-1-yl]-3-methylpyridine.

Molecular Properties

Compound Name2-[(3S)-3-methoxypyrrolidin-1-yl]-3-methylpyridine
PubChem CID143449306
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-[(3S)-3-methoxypyrrolidin-1-yl]-3-methylpyridine
SMILESCO[C@H]1CCN(c2ncccc2C)C1
InChIInChI=1S/C11H16N2O/c1-9-4-3-6-12-11(9)13-7-5-10(8-13)14-2/h3-4,6,10H,5,7-8H2,1-2H3/t10-/m0/s1
InChIKeyCGSHQYKGTCBJPK-JTQLQIEISA-N
XLogP1.62
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 62253531
methyl 1-(3-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 55138629
3-bromo-2-(4-methoxypiperidin-1-yl)pyridine
CID 61375060
[1-(3-methyl-2-pyridinyl)piperidin-4-yl]methanol
CID 62254085
3-(3-methoxypyrrolidin-1-yl)pyrazin-2-amine
CID 103541701
1-(3-methyl-2-pyridinyl)piperidin-3-amine
CID 62253167
2-(3-chloropiperidin-1-yl)-3-methylpyridine
CID 63392389
(3R)-N-ethyl-1-(3-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 123715636
[1-(3-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 62253909
1-(3-methyl-2-pyridinyl)piperidine-4-carbaldehyde
CID 62663790
3-(2,2-dipyridin-3-ylethyl)-2-[(3R)-3-methoxypyrrolidin-1-yl]pyridine
CID 66830725
6-(3-methoxypyrrolidin-1-yl)quinolin-5-amine
CID 103530385

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-methoxypyrrolidin-1-yl]-3-methylpyridine?
The IUPAC name of 2-[(3S)-3-methoxypyrrolidin-1-yl]-3-methylpyridine (CID 143449306) is 2-[(3S)-3-methoxypyrrolidin-1-yl]-3-methylpyridine.
What is the SMILES notation for 2-[(3S)-3-methoxypyrrolidin-1-yl]-3-methylpyridine?
The canonical SMILES for 2-[(3S)-3-methoxypyrrolidin-1-yl]-3-methylpyridine is CO[C@H]1CCN(c2ncccc2C)C1.
What is the InChIKey of 2-[(3S)-3-methoxypyrrolidin-1-yl]-3-methylpyridine?
The InChIKey is CGSHQYKGTCBJPK-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N2O/c1-9-4-3-6-12-11(9)13-7-5-10(8-13)14-2/h3-4,6,10H,5,7-8H2,1-2H3/t10-/m0/s1.
What are the key properties of 2-[(3S)-3-methoxypyrrolidin-1-yl]-3-methylpyridine?
2-[(3S)-3-methoxypyrrolidin-1-yl]-3-methylpyridine has a molecular weight of 192.26 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-methoxypyrrolidin-1-yl]-3-methylpyridine is sourced from PubChem (CID 143449306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).