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

C10H17N — CID 89298374

IUPAC4-[(Z)-but-1-enyl]-5-methyl-1,2,3,6-tetrahydropyridine
SMILESCC/C=C\C1=C(C)CNCC1
InChIInChI=1S/C10H17N/c1-3-4-5-10-6-7-11-8-9(10)2/h4-5,11H,3,6-8H2,1-2H3/b5-4-
InChIKeyJSMXMXXATYJLEL-PLNGDYQASA-N
MW151.25 g/mol
LogP2.26
Rot. Bonds2

About 4-[(Z)-but-1-enyl]-5-methyl-1,2,3,6-tetrahydropyridine

4-[(Z)-but-1-enyl]-5-methyl-1,2,3,6-tetrahydropyridine (PubChem CID 89298374) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 4-[(Z)-but-1-enyl]-5-methyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[(Z)-but-1-enyl]-5-methyl-1,2,3,6-tetrahydropyridine
PubChem CID89298374
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name4-[(Z)-but-1-enyl]-5-methyl-1,2,3,6-tetrahydropyridine
SMILESCC/C=C\C1=C(C)CNCC1
InChIInChI=1S/C10H17N/c1-3-4-5-10-6-7-11-8-9(10)2/h4-5,11H,3,6-8H2,1-2H3/b5-4-
InChIKeyJSMXMXXATYJLEL-PLNGDYQASA-N
XLogP2.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-1-enyl]-5-methyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[(Z)-but-1-enyl]-5-methyl-1,2,3,6-tetrahydropyridine (CID 89298374) is 4-[(Z)-but-1-enyl]-5-methyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[(Z)-but-1-enyl]-5-methyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[(Z)-but-1-enyl]-5-methyl-1,2,3,6-tetrahydropyridine is CC/C=C\C1=C(C)CNCC1.
What is the InChIKey of 4-[(Z)-but-1-enyl]-5-methyl-1,2,3,6-tetrahydropyridine?
The InChIKey is JSMXMXXATYJLEL-PLNGDYQASA-N. The full InChI is InChI=1S/C10H17N/c1-3-4-5-10-6-7-11-8-9(10)2/h4-5,11H,3,6-8H2,1-2H3/b5-4-.
What are the key properties of 4-[(Z)-but-1-enyl]-5-methyl-1,2,3,6-tetrahydropyridine?
4-[(Z)-but-1-enyl]-5-methyl-1,2,3,6-tetrahydropyridine has a molecular weight of 151.25 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-1-enyl]-5-methyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 89298374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).