5-[(Z)-but-1-enyl]-1,2,3,6-tetrahydropyridine

C9H15N — CID 121328495

IUPAC5-[(Z)-but-1-enyl]-1,2,3,6-tetrahydropyridine
SMILESCC/C=C\C1=CCCNC1
InChIInChI=1S/C9H15N/c1-2-3-5-9-6-4-7-10-8-9/h3,5-6,10H,2,4,7-8H2,1H3/b5-3-
InChIKeyYSWZLLYRVTVMOC-HYXAFXHYSA-N
MW137.23 g/mol
LogP1.87
Rot. Bonds2

About 5-[(Z)-but-1-enyl]-1,2,3,6-tetrahydropyridine

5-[(Z)-but-1-enyl]-1,2,3,6-tetrahydropyridine (PubChem CID 121328495) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 5-[(Z)-but-1-enyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-[(Z)-but-1-enyl]-1,2,3,6-tetrahydropyridine
PubChem CID121328495
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name5-[(Z)-but-1-enyl]-1,2,3,6-tetrahydropyridine
SMILESCC/C=C\C1=CCCNC1
InChIInChI=1S/C9H15N/c1-2-3-5-9-6-4-7-10-8-9/h3,5-6,10H,2,4,7-8H2,1H3/b5-3-
InChIKeyYSWZLLYRVTVMOC-HYXAFXHYSA-N
XLogP1.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-but-1-enyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-[(Z)-but-1-enyl]-1,2,3,6-tetrahydropyridine (CID 121328495) is 5-[(Z)-but-1-enyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-[(Z)-but-1-enyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-[(Z)-but-1-enyl]-1,2,3,6-tetrahydropyridine is CC/C=C\C1=CCCNC1.
What is the InChIKey of 5-[(Z)-but-1-enyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is YSWZLLYRVTVMOC-HYXAFXHYSA-N. The full InChI is InChI=1S/C9H15N/c1-2-3-5-9-6-4-7-10-8-9/h3,5-6,10H,2,4,7-8H2,1H3/b5-3-.
What are the key properties of 5-[(Z)-but-1-enyl]-1,2,3,6-tetrahydropyridine?
5-[(Z)-but-1-enyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 137.23 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-but-1-enyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 121328495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).