4,5-bis(ethenyl)-6-(methoxymethyl)-1,2,3,6-tetrahydropyridine

C11H17NO — CID 177021911

IUPAC4,5-bis(ethenyl)-6-(methoxymethyl)-1,2,3,6-tetrahydropyridine
SMILESC=CC1=C(C=C)C(COC)NCC1
InChIInChI=1S/C11H17NO/c1-4-9-6-7-12-11(8-13-3)10(9)5-2/h4-5,11-12H,1-2,6-8H2,3H3
InChIKeyIAXMRTJZLLGNNF-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.66
Rot. Bonds4

About 4,5-bis(ethenyl)-6-(methoxymethyl)-1,2,3,6-tetrahydropyridine

4,5-bis(ethenyl)-6-(methoxymethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 177021911) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-6-(methoxymethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4,5-bis(ethenyl)-6-(methoxymethyl)-1,2,3,6-tetrahydropyridine
PubChem CID177021911
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4,5-bis(ethenyl)-6-(methoxymethyl)-1,2,3,6-tetrahydropyridine
SMILESC=CC1=C(C=C)C(COC)NCC1
InChIInChI=1S/C11H17NO/c1-4-9-6-7-12-11(8-13-3)10(9)5-2/h4-5,11-12H,1-2,6-8H2,3H3
InChIKeyIAXMRTJZLLGNNF-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-6-(methoxymethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4,5-bis(ethenyl)-6-(methoxymethyl)-1,2,3,6-tetrahydropyridine (CID 177021911) is 4,5-bis(ethenyl)-6-(methoxymethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4,5-bis(ethenyl)-6-(methoxymethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4,5-bis(ethenyl)-6-(methoxymethyl)-1,2,3,6-tetrahydropyridine is C=CC1=C(C=C)C(COC)NCC1.
What is the InChIKey of 4,5-bis(ethenyl)-6-(methoxymethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is IAXMRTJZLLGNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-9-6-7-12-11(8-13-3)10(9)5-2/h4-5,11-12H,1-2,6-8H2,3H3.
What are the key properties of 4,5-bis(ethenyl)-6-(methoxymethyl)-1,2,3,6-tetrahydropyridine?
4,5-bis(ethenyl)-6-(methoxymethyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 179.26 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-6-(methoxymethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 177021911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).