4-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyridine

C10H14N2O — CID 71636909

IUPAC4-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyridine
SMILESc1cc(CO[C@H]2CCNC2)ccn1
InChIInChI=1S/C10H14N2O/c1-4-11-5-2-9(1)8-13-10-3-6-12-7-10/h1-2,4-5,10,12H,3,6-8H2/t10-/m0/s1
InChIKeyHYLCAZBXNHYCSI-JTQLQIEISA-N
MW178.24 g/mol
LogP0.96
Rot. Bonds3

About 4-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyridine

4-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyridine (PubChem CID 71636909) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 4-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyridine.

Molecular Properties

Compound Name4-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyridine
PubChem CID71636909
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name4-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyridine
SMILESc1cc(CO[C@H]2CCNC2)ccn1
InChIInChI=1S/C10H14N2O/c1-4-11-5-2-9(1)8-13-10-3-6-12-7-10/h1-2,4-5,10,12H,3,6-8H2/t10-/m0/s1
InChIKeyHYLCAZBXNHYCSI-JTQLQIEISA-N
XLogP0.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyridine?
The IUPAC name of 4-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyridine (CID 71636909) is 4-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyridine.
What is the SMILES notation for 4-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyridine?
The canonical SMILES for 4-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyridine is c1cc(CO[C@H]2CCNC2)ccn1.
What is the InChIKey of 4-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyridine?
The InChIKey is HYLCAZBXNHYCSI-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14N2O/c1-4-11-5-2-9(1)8-13-10-3-6-12-7-10/h1-2,4-5,10,12H,3,6-8H2/t10-/m0/s1.
What are the key properties of 4-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyridine?
4-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyridine has a molecular weight of 178.24 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyridine is sourced from PubChem (CID 71636909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).