2-(3-pyridin-2-ylpyrrolidin-3-yl)ethanol

C11H16N2O — CID 18464532

IUPAC2-(3-pyridin-2-ylpyrrolidin-3-yl)ethanol
SMILESOCCC1(c2ccccn2)CCNC1
InChIInChI=1S/C11H16N2O/c14-8-5-11(4-7-12-9-11)10-3-1-2-6-13-10/h1-3,6,12,14H,4-5,7-9H2
InChIKeyVSUWWLTVSILUNB-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.70
Rot. Bonds3

About 2-(3-pyridin-2-ylpyrrolidin-3-yl)ethanol

2-(3-pyridin-2-ylpyrrolidin-3-yl)ethanol (PubChem CID 18464532) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(3-pyridin-2-ylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-pyridin-2-ylpyrrolidin-3-yl)ethanol
PubChem CID18464532
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-(3-pyridin-2-ylpyrrolidin-3-yl)ethanol
SMILESOCCC1(c2ccccn2)CCNC1
InChIInChI=1S/C11H16N2O/c14-8-5-11(4-7-12-9-11)10-3-1-2-6-13-10/h1-3,6,12,14H,4-5,7-9H2
InChIKeyVSUWWLTVSILUNB-UHFFFAOYSA-N
XLogP0.70
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridin-2-ylpyrrolidin-3-yl)ethanol?
The IUPAC name of 2-(3-pyridin-2-ylpyrrolidin-3-yl)ethanol (CID 18464532) is 2-(3-pyridin-2-ylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for 2-(3-pyridin-2-ylpyrrolidin-3-yl)ethanol?
The canonical SMILES for 2-(3-pyridin-2-ylpyrrolidin-3-yl)ethanol is OCCC1(c2ccccn2)CCNC1.
What is the InChIKey of 2-(3-pyridin-2-ylpyrrolidin-3-yl)ethanol?
The InChIKey is VSUWWLTVSILUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c14-8-5-11(4-7-12-9-11)10-3-1-2-6-13-10/h1-3,6,12,14H,4-5,7-9H2.
What are the key properties of 2-(3-pyridin-2-ylpyrrolidin-3-yl)ethanol?
2-(3-pyridin-2-ylpyrrolidin-3-yl)ethanol has a molecular weight of 192.26 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyridin-2-ylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 18464532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).