ethanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine

C12H20N2O — CID 67218602

IUPACethanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
SMILESCCO.CN1CCC[C@H]1c1cccnc1
InChIInChI=1S/C10H14N2.C2H6O/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;1-2-3/h2,4,6,8,10H,3,5,7H2,1H3;3H,2H2,1H3/t10-;/m0./s1
InChIKeyBPDQFGHMIVCAMB-PPHPATTJSA-N
MW208.31 g/mol
LogP1.85
Rot. Bonds1

About ethanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine

ethanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine (PubChem CID 67218602) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is ethanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Nameethanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
PubChem CID67218602
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Nameethanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
SMILESCCO.CN1CCC[C@H]1c1cccnc1
InChIInChI=1S/C10H14N2.C2H6O/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;1-2-3/h2,4,6,8,10H,3,5,7H2,1H3;3H,2H2,1H3/t10-;/m0./s1
InChIKeyBPDQFGHMIVCAMB-PPHPATTJSA-N
XLogP1.85
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
The IUPAC name of ethanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine (CID 67218602) is ethanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for ethanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
The canonical SMILES for ethanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine is CCO.CN1CCC[C@H]1c1cccnc1.
What is the InChIKey of ethanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
The InChIKey is BPDQFGHMIVCAMB-PPHPATTJSA-N. The full InChI is InChI=1S/C10H14N2.C2H6O/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;1-2-3/h2,4,6,8,10H,3,5,7H2,1H3;3H,2H2,1H3/t10-;/m0./s1.
What are the key properties of ethanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
ethanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine has a molecular weight of 208.31 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 67218602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).