[(3R,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]methanol

C11H16N2O — CID 12960092

IUPAC[(3R,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]methanol
SMILESCN1C[C@H](CO)C[C@H]1c1cccnc1
InChIInChI=1S/C11H16N2O/c1-13-7-9(8-14)5-11(13)10-3-2-4-12-6-10/h2-4,6,9,11,14H,5,7-8H2,1H3/t9-,11+/m1/s1
InChIKeyPDUFHVSTSKCGDQ-KOLCDFICSA-N
MW192.26 g/mol
LogP1.07
Rot. Bonds2

About [(3R,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]methanol

[(3R,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]methanol (PubChem CID 12960092) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is [(3R,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]methanol
PubChem CID12960092
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name[(3R,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]methanol
SMILESCN1C[C@H](CO)C[C@H]1c1cccnc1
InChIInChI=1S/C11H16N2O/c1-13-7-9(8-14)5-11(13)10-3-2-4-12-6-10/h2-4,6,9,11,14H,5,7-8H2,1H3/t9-,11+/m1/s1
InChIKeyPDUFHVSTSKCGDQ-KOLCDFICSA-N
XLogP1.07
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]methanol (CID 12960092) is [(3R,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]methanol is CN1C[C@H](CO)C[C@H]1c1cccnc1.
What is the InChIKey of [(3R,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]methanol?
The InChIKey is PDUFHVSTSKCGDQ-KOLCDFICSA-N. The full InChI is InChI=1S/C11H16N2O/c1-13-7-9(8-14)5-11(13)10-3-2-4-12-6-10/h2-4,6,9,11,14H,5,7-8H2,1H3/t9-,11+/m1/s1.
What are the key properties of [(3R,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]methanol?
[(3R,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]methanol has a molecular weight of 192.26 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 12960092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).