3-[(E)-2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]ethenyl]-1,2,4-oxadiazole

C10H13N3O — CID 141175205

IUPAC3-[(E)-2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]ethenyl]-1,2,4-oxadiazole
SMILESC[C@@H]1C=C(/C=C/c2ncon2)CCN1
InChIInChI=1S/C10H13N3O/c1-8-6-9(4-5-11-8)2-3-10-12-7-14-13-10/h2-3,6-8,11H,4-5H2,1H3/b3-2+/t8-/m1/s1
InChIKeyJGPWLYRIJWLVOZ-UFUPEUMYSA-N
MW191.23 g/mol
LogP1.39
Rot. Bonds2

About 3-[(E)-2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]ethenyl]-1,2,4-oxadiazole

3-[(E)-2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]ethenyl]-1,2,4-oxadiazole (PubChem CID 141175205) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-[(E)-2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]ethenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(E)-2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]ethenyl]-1,2,4-oxadiazole
PubChem CID141175205
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-[(E)-2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]ethenyl]-1,2,4-oxadiazole
SMILESC[C@@H]1C=C(/C=C/c2ncon2)CCN1
InChIInChI=1S/C10H13N3O/c1-8-6-9(4-5-11-8)2-3-10-12-7-14-13-10/h2-3,6-8,11H,4-5H2,1H3/b3-2+/t8-/m1/s1
InChIKeyJGPWLYRIJWLVOZ-UFUPEUMYSA-N
XLogP1.39
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]ethenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(E)-2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]ethenyl]-1,2,4-oxadiazole (CID 141175205) is 3-[(E)-2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]ethenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(E)-2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]ethenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(E)-2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]ethenyl]-1,2,4-oxadiazole is C[C@@H]1C=C(/C=C/c2ncon2)CCN1.
What is the InChIKey of 3-[(E)-2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]ethenyl]-1,2,4-oxadiazole?
The InChIKey is JGPWLYRIJWLVOZ-UFUPEUMYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-8-6-9(4-5-11-8)2-3-10-12-7-14-13-10/h2-3,6-8,11H,4-5H2,1H3/b3-2+/t8-/m1/s1.
What are the key properties of 3-[(E)-2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]ethenyl]-1,2,4-oxadiazole?
3-[(E)-2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]ethenyl]-1,2,4-oxadiazole has a molecular weight of 191.23 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-[(6R)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]ethenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 141175205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).