4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,2,3,6-tetrahydropyridine

C10H15N — CID 89298457

IUPAC4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,2,3,6-tetrahydropyridine
SMILESC=C/C=C\C1=C(C)CNCC1
InChIInChI=1S/C10H15N/c1-3-4-5-10-6-7-11-8-9(10)2/h3-5,11H,1,6-8H2,2H3/b5-4-
InChIKeySPNZIHUFFFXPSO-PLNGDYQASA-N
MW149.24 g/mol
LogP2.04
Rot. Bonds2

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

4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,2,3,6-tetrahydropyridine (PubChem CID 89298457) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,2,3,6-tetrahydropyridine
PubChem CID89298457
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,2,3,6-tetrahydropyridine
SMILESC=C/C=C\C1=C(C)CNCC1
InChIInChI=1S/C10H15N/c1-3-4-5-10-6-7-11-8-9(10)2/h3-5,11H,1,6-8H2,2H3/b5-4-
InChIKeySPNZIHUFFFXPSO-PLNGDYQASA-N
XLogP2.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,2,3,6-tetrahydropyridine (CID 89298457) is 4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,2,3,6-tetrahydropyridine is C=C/C=C\C1=C(C)CNCC1.
What is the InChIKey of 4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,2,3,6-tetrahydropyridine?
The InChIKey is SPNZIHUFFFXPSO-PLNGDYQASA-N. The full InChI is InChI=1S/C10H15N/c1-3-4-5-10-6-7-11-8-9(10)2/h3-5,11H,1,6-8H2,2H3/b5-4-.
What are the key properties of 4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,2,3,6-tetrahydropyridine?
4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,2,3,6-tetrahydropyridine has a molecular weight of 149.24 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 89298457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).