3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]prop-2-yn-1-ol

C14H18N2O2 — CID 11230355

IUPAC3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]prop-2-yn-1-ol
SMILESCN1CCC[C@H]1COc1cncc(C#CCO)c1
InChIInChI=1S/C14H18N2O2/c1-16-6-2-5-13(16)11-18-14-8-12(4-3-7-17)9-15-10-14/h8-10,13,17H,2,5-7,11H2,1H3/t13-/m0/s1
InChIKeyAYYXJYPIJMOLEL-ZDUSSCGKSA-N
MW246.31 g/mol
LogP0.90
Rot. Bonds3

About 3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]prop-2-yn-1-ol

3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]prop-2-yn-1-ol (PubChem CID 11230355) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]prop-2-yn-1-ol
PubChem CID11230355
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]prop-2-yn-1-ol
SMILESCN1CCC[C@H]1COc1cncc(C#CCO)c1
InChIInChI=1S/C14H18N2O2/c1-16-6-2-5-13(16)11-18-14-8-12(4-3-7-17)9-15-10-14/h8-10,13,17H,2,5-7,11H2,1H3/t13-/m0/s1
InChIKeyAYYXJYPIJMOLEL-ZDUSSCGKSA-N
XLogP0.90
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]prop-2-yn-1-ol?
The IUPAC name of 3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]prop-2-yn-1-ol (CID 11230355) is 3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]prop-2-yn-1-ol is CN1CCC[C@H]1COc1cncc(C#CCO)c1.
What is the InChIKey of 3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]prop-2-yn-1-ol?
The InChIKey is AYYXJYPIJMOLEL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-16-6-2-5-13(16)11-18-14-8-12(4-3-7-17)9-15-10-14/h8-10,13,17H,2,5-7,11H2,1H3/t13-/m0/s1.
What are the key properties of 3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]prop-2-yn-1-ol?
3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]prop-2-yn-1-ol has a molecular weight of 246.31 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]prop-2-yn-1-ol is sourced from PubChem (CID 11230355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).