4,5-bis[(E)-2-methoxyethenyl]-1,2,3,6-tetrahydropyridine

C11H17NO2 — CID 89122699

IUPAC4,5-bis[(E)-2-methoxyethenyl]-1,2,3,6-tetrahydropyridine
SMILESCO/C=C/C1=C(/C=C/OC)CNCC1
InChIInChI=1S/C11H17NO2/c1-13-7-4-10-3-6-12-9-11(10)5-8-14-2/h4-5,7-8,12H,3,6,9H2,1-2H3/b7-4+,8-5+
InChIKeyZFIBFPCMTUCEJZ-NSLJXJERSA-N
MW195.26 g/mol
LogP1.60
Rot. Bonds4

About 4,5-bis[(E)-2-methoxyethenyl]-1,2,3,6-tetrahydropyridine

4,5-bis[(E)-2-methoxyethenyl]-1,2,3,6-tetrahydropyridine (PubChem CID 89122699) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4,5-bis[(E)-2-methoxyethenyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4,5-bis[(E)-2-methoxyethenyl]-1,2,3,6-tetrahydropyridine
PubChem CID89122699
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4,5-bis[(E)-2-methoxyethenyl]-1,2,3,6-tetrahydropyridine
SMILESCO/C=C/C1=C(/C=C/OC)CNCC1
InChIInChI=1S/C11H17NO2/c1-13-7-4-10-3-6-12-9-11(10)5-8-14-2/h4-5,7-8,12H,3,6,9H2,1-2H3/b7-4+,8-5+
InChIKeyZFIBFPCMTUCEJZ-NSLJXJERSA-N
XLogP1.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis[(E)-2-methoxyethenyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4,5-bis[(E)-2-methoxyethenyl]-1,2,3,6-tetrahydropyridine (CID 89122699) is 4,5-bis[(E)-2-methoxyethenyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4,5-bis[(E)-2-methoxyethenyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4,5-bis[(E)-2-methoxyethenyl]-1,2,3,6-tetrahydropyridine is CO/C=C/C1=C(/C=C/OC)CNCC1.
What is the InChIKey of 4,5-bis[(E)-2-methoxyethenyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is ZFIBFPCMTUCEJZ-NSLJXJERSA-N. The full InChI is InChI=1S/C11H17NO2/c1-13-7-4-10-3-6-12-9-11(10)5-8-14-2/h4-5,7-8,12H,3,6,9H2,1-2H3/b7-4+,8-5+.
What are the key properties of 4,5-bis[(E)-2-methoxyethenyl]-1,2,3,6-tetrahydropyridine?
4,5-bis[(E)-2-methoxyethenyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 195.26 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis[(E)-2-methoxyethenyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 89122699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).