(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-ol

C10H14N2O — CID 12960088

IUPAC(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-ol
SMILESCN1C[C@@H](O)C[C@H]1c1cccnc1
InChIInChI=1S/C10H14N2O/c1-12-7-9(13)5-10(12)8-3-2-4-11-6-8/h2-4,6,9-10,13H,5,7H2,1H3/t9-,10-/m0/s1
InChIKeyQMZDJTKDTYAGGJ-UWVGGRQHSA-N
MW178.24 g/mol
LogP0.82
Rot. Bonds1

About (3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-ol

(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-ol (PubChem CID 12960088) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is (3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-ol
PubChem CID12960088
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-ol
SMILESCN1C[C@@H](O)C[C@H]1c1cccnc1
InChIInChI=1S/C10H14N2O/c1-12-7-9(13)5-10(12)8-3-2-4-11-6-8/h2-4,6,9-10,13H,5,7H2,1H3/t9-,10-/m0/s1
InChIKeyQMZDJTKDTYAGGJ-UWVGGRQHSA-N
XLogP0.82
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-ol?
The IUPAC name of (3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-ol (CID 12960088) is (3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-ol.
What is the SMILES notation for (3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-ol?
The canonical SMILES for (3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-ol is CN1C[C@@H](O)C[C@H]1c1cccnc1.
What is the InChIKey of (3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-ol?
The InChIKey is QMZDJTKDTYAGGJ-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H14N2O/c1-12-7-9(13)5-10(12)8-3-2-4-11-6-8/h2-4,6,9-10,13H,5,7H2,1H3/t9-,10-/m0/s1.
What are the key properties of (3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-ol?
(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-ol has a molecular weight of 178.24 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-ol is sourced from PubChem (CID 12960088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).