3-[3-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine

C12H18N2O — CID 10330622

IUPAC3-[3-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine
SMILESCOCC1CCN(C)C1c1cccnc1
InChIInChI=1S/C12H18N2O/c1-14-7-5-11(9-15-2)12(14)10-4-3-6-13-8-10/h3-4,6,8,11-12H,5,7,9H2,1-2H3
InChIKeyOIVUCAHRVWZIDY-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.72
Rot. Bonds3

About 3-[3-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine

3-[3-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine (PubChem CID 10330622) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[3-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine
PubChem CID10330622
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-[3-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine
SMILESCOCC1CCN(C)C1c1cccnc1
InChIInChI=1S/C12H18N2O/c1-14-7-5-11(9-15-2)12(14)10-4-3-6-13-8-10/h3-4,6,8,11-12H,5,7,9H2,1-2H3
InChIKeyOIVUCAHRVWZIDY-UHFFFAOYSA-N
XLogP1.72
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine?
The IUPAC name of 3-[3-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine (CID 10330622) is 3-[3-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-[3-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-[3-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine is COCC1CCN(C)C1c1cccnc1.
What is the InChIKey of 3-[3-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine?
The InChIKey is OIVUCAHRVWZIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14-7-5-11(9-15-2)12(14)10-4-3-6-13-8-10/h3-4,6,8,11-12H,5,7,9H2,1-2H3.
What are the key properties of 3-[3-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine?
3-[3-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine has a molecular weight of 206.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 10330622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).