6-[(1E,3E)-penta-1,3-dienyl]-2,3,4,5-tetrahydropyridine

C10H15N — CID 6444364

IUPAC6-[(1E,3E)-penta-1,3-dienyl]-2,3,4,5-tetrahydropyridine
SMILESC/C=C/C=C/C1=NCCCC1
InChIInChI=1S/C10H15N/c1-2-3-4-7-10-8-5-6-9-11-10/h2-4,7H,5-6,8-9H2,1H3/b3-2+,7-4+
InChIKeyCGPIOORMJIXSIM-AOGGBPEJSA-N
MW149.24 g/mol
LogP2.74
Rot. Bonds2

About 6-[(1E,3E)-penta-1,3-dienyl]-2,3,4,5-tetrahydropyridine

6-[(1E,3E)-penta-1,3-dienyl]-2,3,4,5-tetrahydropyridine (PubChem CID 6444364) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 6-[(1E,3E)-penta-1,3-dienyl]-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-[(1E,3E)-penta-1,3-dienyl]-2,3,4,5-tetrahydropyridine
PubChem CID6444364
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name6-[(1E,3E)-penta-1,3-dienyl]-2,3,4,5-tetrahydropyridine
SMILESC/C=C/C=C/C1=NCCCC1
InChIInChI=1S/C10H15N/c1-2-3-4-7-10-8-5-6-9-11-10/h2-4,7H,5-6,8-9H2,1H3/b3-2+,7-4+
InChIKeyCGPIOORMJIXSIM-AOGGBPEJSA-N
XLogP2.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.74
H-Bond Donors ≤ 50
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 6-[(1E,3E)-penta-1,3-dienyl]-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-[(1E,3E)-penta-1,3-dienyl]-2,3,4,5-tetrahydropyridine (CID 6444364) is 6-[(1E,3E)-penta-1,3-dienyl]-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-[(1E,3E)-penta-1,3-dienyl]-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-[(1E,3E)-penta-1,3-dienyl]-2,3,4,5-tetrahydropyridine is C/C=C/C=C/C1=NCCCC1.
What is the InChIKey of 6-[(1E,3E)-penta-1,3-dienyl]-2,3,4,5-tetrahydropyridine?
The InChIKey is CGPIOORMJIXSIM-AOGGBPEJSA-N. The full InChI is InChI=1S/C10H15N/c1-2-3-4-7-10-8-5-6-9-11-10/h2-4,7H,5-6,8-9H2,1H3/b3-2+,7-4+.
What are the key properties of 6-[(1E,3E)-penta-1,3-dienyl]-2,3,4,5-tetrahydropyridine?
6-[(1E,3E)-penta-1,3-dienyl]-2,3,4,5-tetrahydropyridine has a molecular weight of 149.24 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1E,3E)-penta-1,3-dienyl]-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 6444364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).