3-[(1-methylpyrrolidin-3-yl)oxymethyl]pyridine

C11H16N2O — CID 18723105

IUPAC3-[(1-methylpyrrolidin-3-yl)oxymethyl]pyridine
SMILESCN1CCC(OCc2cccnc2)C1
InChIInChI=1S/C11H16N2O/c1-13-6-4-11(8-13)14-9-10-3-2-5-12-7-10/h2-3,5,7,11H,4,6,8-9H2,1H3
InChIKeyCTAATVHKKXZRNM-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.30
Rot. Bonds3

About 3-[(1-methylpyrrolidin-3-yl)oxymethyl]pyridine

3-[(1-methylpyrrolidin-3-yl)oxymethyl]pyridine (PubChem CID 18723105) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-[(1-methylpyrrolidin-3-yl)oxymethyl]pyridine.

Molecular Properties

Compound Name3-[(1-methylpyrrolidin-3-yl)oxymethyl]pyridine
PubChem CID18723105
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-[(1-methylpyrrolidin-3-yl)oxymethyl]pyridine
SMILESCN1CCC(OCc2cccnc2)C1
InChIInChI=1S/C11H16N2O/c1-13-6-4-11(8-13)14-9-10-3-2-5-12-7-10/h2-3,5,7,11H,4,6,8-9H2,1H3
InChIKeyCTAATVHKKXZRNM-UHFFFAOYSA-N
XLogP1.30
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrrolidin-3-yl)oxymethyl]pyridine?
The IUPAC name of 3-[(1-methylpyrrolidin-3-yl)oxymethyl]pyridine (CID 18723105) is 3-[(1-methylpyrrolidin-3-yl)oxymethyl]pyridine.
What is the SMILES notation for 3-[(1-methylpyrrolidin-3-yl)oxymethyl]pyridine?
The canonical SMILES for 3-[(1-methylpyrrolidin-3-yl)oxymethyl]pyridine is CN1CCC(OCc2cccnc2)C1.
What is the InChIKey of 3-[(1-methylpyrrolidin-3-yl)oxymethyl]pyridine?
The InChIKey is CTAATVHKKXZRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-13-6-4-11(8-13)14-9-10-3-2-5-12-7-10/h2-3,5,7,11H,4,6,8-9H2,1H3.
What are the key properties of 3-[(1-methylpyrrolidin-3-yl)oxymethyl]pyridine?
3-[(1-methylpyrrolidin-3-yl)oxymethyl]pyridine has a molecular weight of 192.26 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrrolidin-3-yl)oxymethyl]pyridine is sourced from PubChem (CID 18723105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).