3-[(1E,3E)-penta-1,3-dienyl]pyridine

C10H11N — CID 173222237

IUPAC3-[(1E,3E)-penta-1,3-dienyl]pyridine
SMILESC/C=C/C=C/c1cccnc1
InChIInChI=1S/C10H11N/c1-2-3-4-6-10-7-5-8-11-9-10/h2-9H,1H3/b3-2+,6-4+
InChIKeyFKMYEWWYVFBXHW-WJPDYIDTSA-N
MW145.20 g/mol
LogP2.67
Rot. Bonds2

About 3-[(1E,3E)-penta-1,3-dienyl]pyridine

3-[(1E,3E)-penta-1,3-dienyl]pyridine (PubChem CID 173222237) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-[(1E,3E)-penta-1,3-dienyl]pyridine.

Molecular Properties

Compound Name3-[(1E,3E)-penta-1,3-dienyl]pyridine
PubChem CID173222237
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name3-[(1E,3E)-penta-1,3-dienyl]pyridine
SMILESC/C=C/C=C/c1cccnc1
InChIInChI=1S/C10H11N/c1-2-3-4-6-10-7-5-8-11-9-10/h2-9H,1H3/b3-2+,6-4+
InChIKeyFKMYEWWYVFBXHW-WJPDYIDTSA-N
XLogP2.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.67
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 3-[(1E,3E)-penta-1,3-dienyl]pyridine?
The IUPAC name of 3-[(1E,3E)-penta-1,3-dienyl]pyridine (CID 173222237) is 3-[(1E,3E)-penta-1,3-dienyl]pyridine.
What is the SMILES notation for 3-[(1E,3E)-penta-1,3-dienyl]pyridine?
The canonical SMILES for 3-[(1E,3E)-penta-1,3-dienyl]pyridine is C/C=C/C=C/c1cccnc1.
What is the InChIKey of 3-[(1E,3E)-penta-1,3-dienyl]pyridine?
The InChIKey is FKMYEWWYVFBXHW-WJPDYIDTSA-N. The full InChI is InChI=1S/C10H11N/c1-2-3-4-6-10-7-5-8-11-9-10/h2-9H,1H3/b3-2+,6-4+.
What are the key properties of 3-[(1E,3E)-penta-1,3-dienyl]pyridine?
3-[(1E,3E)-penta-1,3-dienyl]pyridine has a molecular weight of 145.20 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1E,3E)-penta-1,3-dienyl]pyridine is sourced from PubChem (CID 173222237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).