2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethanol

C12H20N2O — CID 70544464

IUPAC2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethanol
SMILESCN1CCCC1C1=CN(CCO)CC=C1
InChIInChI=1S/C12H20N2O/c1-13-6-3-5-12(13)11-4-2-7-14(10-11)8-9-15/h2,4,10,12,15H,3,5-9H2,1H3
InChIKeyZIXHSKOXRSINKL-UHFFFAOYSA-N
MW208.30 g/mol
LogP0.83
Rot. Bonds3

About 2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethanol

2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethanol (PubChem CID 70544464) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethanol
PubChem CID70544464
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethanol
SMILESCN1CCCC1C1=CN(CCO)CC=C1
InChIInChI=1S/C12H20N2O/c1-13-6-3-5-12(13)11-4-2-7-14(10-11)8-9-15/h2,4,10,12,15H,3,5-9H2,1H3
InChIKeyZIXHSKOXRSINKL-UHFFFAOYSA-N
XLogP0.83
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethanol?
The IUPAC name of 2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethanol (CID 70544464) is 2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethanol.
What is the SMILES notation for 2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethanol?
The canonical SMILES for 2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethanol is CN1CCCC1C1=CN(CCO)CC=C1.
What is the InChIKey of 2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethanol?
The InChIKey is ZIXHSKOXRSINKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-13-6-3-5-12(13)11-4-2-7-14(10-11)8-9-15/h2,4,10,12,15H,3,5-9H2,1H3.
What are the key properties of 2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethanol?
2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethanol has a molecular weight of 208.30 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-methylpyrrolidin-2-yl)-2H-pyridin-1-yl]ethanol is sourced from PubChem (CID 70544464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).