4-[1-(oxolan-3-yl)pyrrolidin-3-yl]pyridine

C13H18N2O — CID 122154505

IUPAC4-[1-(oxolan-3-yl)pyrrolidin-3-yl]pyridine
SMILESc1cc(C2CCN(C3CCOC3)C2)ccn1
InChIInChI=1S/C13H18N2O/c1-5-14-6-2-11(1)12-3-7-15(9-12)13-4-8-16-10-13/h1-2,5-6,12-13H,3-4,7-10H2
InChIKeyBFXZGHLNOZPMRC-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.66
Rot. Bonds2

About 4-[1-(oxolan-3-yl)pyrrolidin-3-yl]pyridine

4-[1-(oxolan-3-yl)pyrrolidin-3-yl]pyridine (PubChem CID 122154505) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-[1-(oxolan-3-yl)pyrrolidin-3-yl]pyridine.

Molecular Properties

Compound Name4-[1-(oxolan-3-yl)pyrrolidin-3-yl]pyridine
PubChem CID122154505
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-[1-(oxolan-3-yl)pyrrolidin-3-yl]pyridine
SMILESc1cc(C2CCN(C3CCOC3)C2)ccn1
InChIInChI=1S/C13H18N2O/c1-5-14-6-2-11(1)12-3-7-15(9-12)13-4-8-16-10-13/h1-2,5-6,12-13H,3-4,7-10H2
InChIKeyBFXZGHLNOZPMRC-UHFFFAOYSA-N
XLogP1.66
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(oxolan-3-yl)pyrrolidin-3-yl]pyridine?
The IUPAC name of 4-[1-(oxolan-3-yl)pyrrolidin-3-yl]pyridine (CID 122154505) is 4-[1-(oxolan-3-yl)pyrrolidin-3-yl]pyridine.
What is the SMILES notation for 4-[1-(oxolan-3-yl)pyrrolidin-3-yl]pyridine?
The canonical SMILES for 4-[1-(oxolan-3-yl)pyrrolidin-3-yl]pyridine is c1cc(C2CCN(C3CCOC3)C2)ccn1.
What is the InChIKey of 4-[1-(oxolan-3-yl)pyrrolidin-3-yl]pyridine?
The InChIKey is BFXZGHLNOZPMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-5-14-6-2-11(1)12-3-7-15(9-12)13-4-8-16-10-13/h1-2,5-6,12-13H,3-4,7-10H2.
What are the key properties of 4-[1-(oxolan-3-yl)pyrrolidin-3-yl]pyridine?
4-[1-(oxolan-3-yl)pyrrolidin-3-yl]pyridine has a molecular weight of 218.30 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(oxolan-3-yl)pyrrolidin-3-yl]pyridine is sourced from PubChem (CID 122154505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).