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

C9H13N — CID 89245531

IUPAC4-[(1Z)-buta-1,3-dienyl]-1,2,3,6-tetrahydropyridine
SMILESC=C/C=C\C1=CCNCC1
InChIInChI=1S/C9H13N/c1-2-3-4-9-5-7-10-8-6-9/h2-5,10H,1,6-8H2/b4-3-
InChIKeyOMDHXYJMVHTDGP-ARJAWSKDSA-N
MW135.21 g/mol
LogP1.65
Rot. Bonds2

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

4-[(1Z)-buta-1,3-dienyl]-1,2,3,6-tetrahydropyridine (PubChem CID 89245531) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 4-[(1Z)-buta-1,3-dienyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[(1Z)-buta-1,3-dienyl]-1,2,3,6-tetrahydropyridine
PubChem CID89245531
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name4-[(1Z)-buta-1,3-dienyl]-1,2,3,6-tetrahydropyridine
SMILESC=C/C=C\C1=CCNCC1
InChIInChI=1S/C9H13N/c1-2-3-4-9-5-7-10-8-6-9/h2-5,10H,1,6-8H2/b4-3-
InChIKeyOMDHXYJMVHTDGP-ARJAWSKDSA-N
XLogP1.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.65
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]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-1,2,3,6-tetrahydropyridine (CID 89245531) is 4-[(1Z)-buta-1,3-dienyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[(1Z)-buta-1,3-dienyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[(1Z)-buta-1,3-dienyl]-1,2,3,6-tetrahydropyridine is C=C/C=C\C1=CCNCC1.
What is the InChIKey of 4-[(1Z)-buta-1,3-dienyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is OMDHXYJMVHTDGP-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H13N/c1-2-3-4-9-5-7-10-8-6-9/h2-5,10H,1,6-8H2/b4-3-.
What are the key properties of 4-[(1Z)-buta-1,3-dienyl]-1,2,3,6-tetrahydropyridine?
4-[(1Z)-buta-1,3-dienyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 135.21 g/mol, XLogP of 1.65, 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]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 89245531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).