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

C10H16FN — CID 143002647

IUPAC4-[(Z)-but-1-enyl]-2-fluoro-5-methyl-1,2,3,6-tetrahydropyridine
SMILESCC/C=C\C1=C(C)CNC(F)C1
InChIInChI=1S/C10H16FN/c1-3-4-5-9-6-10(11)12-7-8(9)2/h4-5,10,12H,3,6-7H2,1-2H3/b5-4-
InChIKeyHXMLXYDLXSXFLM-PLNGDYQASA-N
MW169.24 g/mol
LogP2.56
Rot. Bonds2

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

4-[(Z)-but-1-enyl]-2-fluoro-5-methyl-1,2,3,6-tetrahydropyridine (PubChem CID 143002647) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 4-[(Z)-but-1-enyl]-2-fluoro-5-methyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[(Z)-but-1-enyl]-2-fluoro-5-methyl-1,2,3,6-tetrahydropyridine
PubChem CID143002647
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name4-[(Z)-but-1-enyl]-2-fluoro-5-methyl-1,2,3,6-tetrahydropyridine
SMILESCC/C=C\C1=C(C)CNC(F)C1
InChIInChI=1S/C10H16FN/c1-3-4-5-9-6-10(11)12-7-8(9)2/h4-5,10,12H,3,6-7H2,1-2H3/b5-4-
InChIKeyHXMLXYDLXSXFLM-PLNGDYQASA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-1-enyl]-2-fluoro-5-methyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[(Z)-but-1-enyl]-2-fluoro-5-methyl-1,2,3,6-tetrahydropyridine (CID 143002647) is 4-[(Z)-but-1-enyl]-2-fluoro-5-methyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[(Z)-but-1-enyl]-2-fluoro-5-methyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[(Z)-but-1-enyl]-2-fluoro-5-methyl-1,2,3,6-tetrahydropyridine is CC/C=C\C1=C(C)CNC(F)C1.
What is the InChIKey of 4-[(Z)-but-1-enyl]-2-fluoro-5-methyl-1,2,3,6-tetrahydropyridine?
The InChIKey is HXMLXYDLXSXFLM-PLNGDYQASA-N. The full InChI is InChI=1S/C10H16FN/c1-3-4-5-9-6-10(11)12-7-8(9)2/h4-5,10,12H,3,6-7H2,1-2H3/b5-4-.
What are the key properties of 4-[(Z)-but-1-enyl]-2-fluoro-5-methyl-1,2,3,6-tetrahydropyridine?
4-[(Z)-but-1-enyl]-2-fluoro-5-methyl-1,2,3,6-tetrahydropyridine has a molecular weight of 169.24 g/mol, XLogP of 2.56, 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]-2-fluoro-5-methyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 143002647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).