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

C10H15N — CID 129145091

IUPAC2-[(1Z,3Z)-penta-1,3-dienyl]-1,2,3,6-tetrahydropyridine
SMILESC/C=C\C=C/C1CC=CCN1
InChIInChI=1S/C10H15N/c1-2-3-4-7-10-8-5-6-9-11-10/h2-7,10-11H,8-9H2,1H3/b3-2-,7-4-
InChIKeyDQHYHLSTWFTAIM-JXPISWCDSA-N
MW149.24 g/mol
LogP2.04
Rot. Bonds2

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

2-[(1Z,3Z)-penta-1,3-dienyl]-1,2,3,6-tetrahydropyridine (PubChem CID 129145091) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 2-[(1Z,3Z)-penta-1,3-dienyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name2-[(1Z,3Z)-penta-1,3-dienyl]-1,2,3,6-tetrahydropyridine
PubChem CID129145091
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name2-[(1Z,3Z)-penta-1,3-dienyl]-1,2,3,6-tetrahydropyridine
SMILESC/C=C\C=C/C1CC=CCN1
InChIInChI=1S/C10H15N/c1-2-3-4-7-10-8-5-6-9-11-10/h2-7,10-11H,8-9H2,1H3/b3-2-,7-4-
InChIKeyDQHYHLSTWFTAIM-JXPISWCDSA-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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1Z,3Z)-penta-1,3-dienyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 2-[(1Z,3Z)-penta-1,3-dienyl]-1,2,3,6-tetrahydropyridine (CID 129145091) is 2-[(1Z,3Z)-penta-1,3-dienyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 2-[(1Z,3Z)-penta-1,3-dienyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 2-[(1Z,3Z)-penta-1,3-dienyl]-1,2,3,6-tetrahydropyridine is C/C=C\C=C/C1CC=CCN1.
What is the InChIKey of 2-[(1Z,3Z)-penta-1,3-dienyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is DQHYHLSTWFTAIM-JXPISWCDSA-N. The full InChI is InChI=1S/C10H15N/c1-2-3-4-7-10-8-5-6-9-11-10/h2-7,10-11H,8-9H2,1H3/b3-2-,7-4-.
What are the key properties of 2-[(1Z,3Z)-penta-1,3-dienyl]-1,2,3,6-tetrahydropyridine?
2-[(1Z,3Z)-penta-1,3-dienyl]-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 2-[(1Z,3Z)-penta-1,3-dienyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 129145091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).