3-[3-[(2S)-pyrrolidin-2-yl]furan-2-yl]pyridine

C13H14N2O — CID 70888170

IUPAC3-[3-[(2S)-pyrrolidin-2-yl]furan-2-yl]pyridine
SMILESc1cncc(-c2occc2[C@@H]2CCCN2)c1
InChIInChI=1S/C13H14N2O/c1-3-10(9-14-6-1)13-11(5-8-16-13)12-4-2-7-15-12/h1,3,5-6,8-9,12,15H,2,4,7H2/t12-/m0/s1
InChIKeyWWOLWVRWDYADOF-LBPRGKRZSA-N
MW214.27 g/mol
LogP2.77
Rot. Bonds2

About 3-[3-[(2S)-pyrrolidin-2-yl]furan-2-yl]pyridine

3-[3-[(2S)-pyrrolidin-2-yl]furan-2-yl]pyridine (PubChem CID 70888170) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-[3-[(2S)-pyrrolidin-2-yl]furan-2-yl]pyridine.

Molecular Properties

Compound Name3-[3-[(2S)-pyrrolidin-2-yl]furan-2-yl]pyridine
PubChem CID70888170
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-[3-[(2S)-pyrrolidin-2-yl]furan-2-yl]pyridine
SMILESc1cncc(-c2occc2[C@@H]2CCCN2)c1
InChIInChI=1S/C13H14N2O/c1-3-10(9-14-6-1)13-11(5-8-16-13)12-4-2-7-15-12/h1,3,5-6,8-9,12,15H,2,4,7H2/t12-/m0/s1
InChIKeyWWOLWVRWDYADOF-LBPRGKRZSA-N
XLogP2.77
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2S)-pyrrolidin-2-yl]furan-2-yl]pyridine?
The IUPAC name of 3-[3-[(2S)-pyrrolidin-2-yl]furan-2-yl]pyridine (CID 70888170) is 3-[3-[(2S)-pyrrolidin-2-yl]furan-2-yl]pyridine.
What is the SMILES notation for 3-[3-[(2S)-pyrrolidin-2-yl]furan-2-yl]pyridine?
The canonical SMILES for 3-[3-[(2S)-pyrrolidin-2-yl]furan-2-yl]pyridine is c1cncc(-c2occc2[C@@H]2CCCN2)c1.
What is the InChIKey of 3-[3-[(2S)-pyrrolidin-2-yl]furan-2-yl]pyridine?
The InChIKey is WWOLWVRWDYADOF-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H14N2O/c1-3-10(9-14-6-1)13-11(5-8-16-13)12-4-2-7-15-12/h1,3,5-6,8-9,12,15H,2,4,7H2/t12-/m0/s1.
What are the key properties of 3-[3-[(2S)-pyrrolidin-2-yl]furan-2-yl]pyridine?
3-[3-[(2S)-pyrrolidin-2-yl]furan-2-yl]pyridine has a molecular weight of 214.27 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2S)-pyrrolidin-2-yl]furan-2-yl]pyridine is sourced from PubChem (CID 70888170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).