3-(pyrrolidin-3-ylmethoxymethyl)pyridine

C11H16N2O — CID 53414666

IUPAC3-(pyrrolidin-3-ylmethoxymethyl)pyridine
SMILESc1cncc(COCC2CCNC2)c1
InChIInChI=1S/C11H16N2O/c1-2-10(6-12-4-1)8-14-9-11-3-5-13-7-11/h1-2,4,6,11,13H,3,5,7-9H2
InChIKeyBFWLEZJNBVFENH-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.21
Rot. Bonds4

About 3-(pyrrolidin-3-ylmethoxymethyl)pyridine

3-(pyrrolidin-3-ylmethoxymethyl)pyridine (PubChem CID 53414666) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-(pyrrolidin-3-ylmethoxymethyl)pyridine.

Molecular Properties

Compound Name3-(pyrrolidin-3-ylmethoxymethyl)pyridine
PubChem CID53414666
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-(pyrrolidin-3-ylmethoxymethyl)pyridine
SMILESc1cncc(COCC2CCNC2)c1
InChIInChI=1S/C11H16N2O/c1-2-10(6-12-4-1)8-14-9-11-3-5-13-7-11/h1-2,4,6,11,13H,3,5,7-9H2
InChIKeyBFWLEZJNBVFENH-UHFFFAOYSA-N
XLogP1.21
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-3-ylmethoxymethyl)pyridine?
The IUPAC name of 3-(pyrrolidin-3-ylmethoxymethyl)pyridine (CID 53414666) is 3-(pyrrolidin-3-ylmethoxymethyl)pyridine.
What is the SMILES notation for 3-(pyrrolidin-3-ylmethoxymethyl)pyridine?
The canonical SMILES for 3-(pyrrolidin-3-ylmethoxymethyl)pyridine is c1cncc(COCC2CCNC2)c1.
What is the InChIKey of 3-(pyrrolidin-3-ylmethoxymethyl)pyridine?
The InChIKey is BFWLEZJNBVFENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-10(6-12-4-1)8-14-9-11-3-5-13-7-11/h1-2,4,6,11,13H,3,5,7-9H2.
What are the key properties of 3-(pyrrolidin-3-ylmethoxymethyl)pyridine?
3-(pyrrolidin-3-ylmethoxymethyl)pyridine has a molecular weight of 192.26 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-3-ylmethoxymethyl)pyridine is sourced from PubChem (CID 53414666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).