4-ethenyl-1,2,3,6-tetrahydropyridine

C7H11N — CID 21110358

IUPAC4-ethenyl-1,2,3,6-tetrahydropyridine
SMILESC=CC1=CCNCC1
InChIInChI=1S/C7H11N/c1-2-7-3-5-8-6-4-7/h2-3,8H,1,4-6H2
InChIKeyNTUVKZCJVVDTRU-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.09
Rot. Bonds1

About 4-ethenyl-1,2,3,6-tetrahydropyridine

4-ethenyl-1,2,3,6-tetrahydropyridine (PubChem CID 21110358) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 4-ethenyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-ethenyl-1,2,3,6-tetrahydropyridine
PubChem CID21110358
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name4-ethenyl-1,2,3,6-tetrahydropyridine
SMILESC=CC1=CCNCC1
InChIInChI=1S/C7H11N/c1-2-7-3-5-8-6-4-7/h2-3,8H,1,4-6H2
InChIKeyNTUVKZCJVVDTRU-UHFFFAOYSA-N
XLogP1.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-ethenyl-1,2,3,6-tetrahydropyridine (CID 21110358) is 4-ethenyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-ethenyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-ethenyl-1,2,3,6-tetrahydropyridine is C=CC1=CCNCC1.
What is the InChIKey of 4-ethenyl-1,2,3,6-tetrahydropyridine?
The InChIKey is NTUVKZCJVVDTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-2-7-3-5-8-6-4-7/h2-3,8H,1,4-6H2.
What are the key properties of 4-ethenyl-1,2,3,6-tetrahydropyridine?
4-ethenyl-1,2,3,6-tetrahydropyridine has a molecular weight of 109.17 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 21110358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).