4-ethenyl-2,3,4,5-tetrahydropyridine

C7H11N — CID 89067291

IUPAC4-ethenyl-2,3,4,5-tetrahydropyridine
SMILESC=CC1CC=NCC1
InChIInChI=1S/C7H11N/c1-2-7-3-5-8-6-4-7/h2,5,7H,1,3-4,6H2
InChIKeySVIDQRUAGPUKFN-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.65
Rot. Bonds1

About 4-ethenyl-2,3,4,5-tetrahydropyridine

4-ethenyl-2,3,4,5-tetrahydropyridine (PubChem CID 89067291) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 4-ethenyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name4-ethenyl-2,3,4,5-tetrahydropyridine
PubChem CID89067291
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name4-ethenyl-2,3,4,5-tetrahydropyridine
SMILESC=CC1CC=NCC1
InChIInChI=1S/C7H11N/c1-2-7-3-5-8-6-4-7/h2,5,7H,1,3-4,6H2
InChIKeySVIDQRUAGPUKFN-UHFFFAOYSA-N
XLogP1.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 4-ethenyl-2,3,4,5-tetrahydropyridine (CID 89067291) is 4-ethenyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 4-ethenyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 4-ethenyl-2,3,4,5-tetrahydropyridine is C=CC1CC=NCC1.
What is the InChIKey of 4-ethenyl-2,3,4,5-tetrahydropyridine?
The InChIKey is SVIDQRUAGPUKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-2-7-3-5-8-6-4-7/h2,5,7H,1,3-4,6H2.
What are the key properties of 4-ethenyl-2,3,4,5-tetrahydropyridine?
4-ethenyl-2,3,4,5-tetrahydropyridine has a molecular weight of 109.17 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 89067291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).