1-(2-methoxy-4-pyridinyl)-3-methylpyrrolidin-3-ol

C11H16N2O2 — CID 103357727

IUPAC1-(2-methoxy-4-pyridinyl)-3-methylpyrrolidin-3-ol
SMILESCOc1cc(N2CCC(C)(O)C2)ccn1
InChIInChI=1S/C11H16N2O2/c1-11(14)4-6-13(8-11)9-3-5-12-10(7-9)15-2/h3,5,7,14H,4,6,8H2,1-2H3
InChIKeyUPYBZUMZTZKCFZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.05
Rot. Bonds2

About 1-(2-methoxy-4-pyridinyl)-3-methylpyrrolidin-3-ol

1-(2-methoxy-4-pyridinyl)-3-methylpyrrolidin-3-ol (PubChem CID 103357727) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(2-methoxy-4-pyridinyl)-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-methoxy-4-pyridinyl)-3-methylpyrrolidin-3-ol
PubChem CID103357727
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(2-methoxy-4-pyridinyl)-3-methylpyrrolidin-3-ol
SMILESCOc1cc(N2CCC(C)(O)C2)ccn1
InChIInChI=1S/C11H16N2O2/c1-11(14)4-6-13(8-11)9-3-5-12-10(7-9)15-2/h3,5,7,14H,4,6,8H2,1-2H3
InChIKeyUPYBZUMZTZKCFZ-UHFFFAOYSA-N
XLogP1.05
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-pyridinyl)-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(2-methoxy-4-pyridinyl)-3-methylpyrrolidin-3-ol (CID 103357727) is 1-(2-methoxy-4-pyridinyl)-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(2-methoxy-4-pyridinyl)-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(2-methoxy-4-pyridinyl)-3-methylpyrrolidin-3-ol is COc1cc(N2CCC(C)(O)C2)ccn1.
What is the InChIKey of 1-(2-methoxy-4-pyridinyl)-3-methylpyrrolidin-3-ol?
The InChIKey is UPYBZUMZTZKCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(14)4-6-13(8-11)9-3-5-12-10(7-9)15-2/h3,5,7,14H,4,6,8H2,1-2H3.
What are the key properties of 1-(2-methoxy-4-pyridinyl)-3-methylpyrrolidin-3-ol?
1-(2-methoxy-4-pyridinyl)-3-methylpyrrolidin-3-ol has a molecular weight of 208.26 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-pyridinyl)-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103357727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).