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

C8H13N — CID 123549333

IUPAC5-ethenyl-4-methyl-1,2,3,6-tetrahydropyridine
SMILESC=CC1=C(C)CCNC1
InChIInChI=1S/C8H13N/c1-3-8-6-9-5-4-7(8)2/h3,9H,1,4-6H2,2H3
InChIKeyHHPUDDWJDQATSK-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.48
Rot. Bonds1

About 5-ethenyl-4-methyl-1,2,3,6-tetrahydropyridine

5-ethenyl-4-methyl-1,2,3,6-tetrahydropyridine (PubChem CID 123549333) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 5-ethenyl-4-methyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-ethenyl-4-methyl-1,2,3,6-tetrahydropyridine
PubChem CID123549333
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name5-ethenyl-4-methyl-1,2,3,6-tetrahydropyridine
SMILESC=CC1=C(C)CCNC1
InChIInChI=1S/C8H13N/c1-3-8-6-9-5-4-7(8)2/h3,9H,1,4-6H2,2H3
InChIKeyHHPUDDWJDQATSK-UHFFFAOYSA-N
XLogP1.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-methyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-ethenyl-4-methyl-1,2,3,6-tetrahydropyridine (CID 123549333) is 5-ethenyl-4-methyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-ethenyl-4-methyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-ethenyl-4-methyl-1,2,3,6-tetrahydropyridine is C=CC1=C(C)CCNC1.
What is the InChIKey of 5-ethenyl-4-methyl-1,2,3,6-tetrahydropyridine?
The InChIKey is HHPUDDWJDQATSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-3-8-6-9-5-4-7(8)2/h3,9H,1,4-6H2,2H3.
What are the key properties of 5-ethenyl-4-methyl-1,2,3,6-tetrahydropyridine?
5-ethenyl-4-methyl-1,2,3,6-tetrahydropyridine has a molecular weight of 123.20 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-methyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 123549333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).