2-[(E)-4-phenylbut-1-enyl]pyridine

C15H15N — CID 68904767

IUPAC2-[(E)-4-phenylbut-1-enyl]pyridine
SMILESC(=C/c1ccccn1)\CCc1ccccc1
InChIInChI=1S/C15H15N/c1-2-8-14(9-3-1)10-4-5-11-15-12-6-7-13-16-15/h1-3,5-9,11-13H,4,10H2/b11-5+
InChIKeyQFQRQLIMRXQGQJ-VZUCSPMQSA-N
MW209.29 g/mol
LogP3.73
Rot. Bonds4

About 2-[(E)-4-phenylbut-1-enyl]pyridine

2-[(E)-4-phenylbut-1-enyl]pyridine (PubChem CID 68904767) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[(E)-4-phenylbut-1-enyl]pyridine.

Molecular Properties

Compound Name2-[(E)-4-phenylbut-1-enyl]pyridine
PubChem CID68904767
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC Name2-[(E)-4-phenylbut-1-enyl]pyridine
SMILESC(=C/c1ccccn1)\CCc1ccccc1
InChIInChI=1S/C15H15N/c1-2-8-14(9-3-1)10-4-5-11-15-12-6-7-13-16-15/h1-3,5-9,11-13H,4,10H2/b11-5+
InChIKeyQFQRQLIMRXQGQJ-VZUCSPMQSA-N
XLogP3.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4-phenylbut-1-enyl]pyridine?
The IUPAC name of 2-[(E)-4-phenylbut-1-enyl]pyridine (CID 68904767) is 2-[(E)-4-phenylbut-1-enyl]pyridine.
What is the SMILES notation for 2-[(E)-4-phenylbut-1-enyl]pyridine?
The canonical SMILES for 2-[(E)-4-phenylbut-1-enyl]pyridine is C(=C/c1ccccn1)\CCc1ccccc1.
What is the InChIKey of 2-[(E)-4-phenylbut-1-enyl]pyridine?
The InChIKey is QFQRQLIMRXQGQJ-VZUCSPMQSA-N. The full InChI is InChI=1S/C15H15N/c1-2-8-14(9-3-1)10-4-5-11-15-12-6-7-13-16-15/h1-3,5-9,11-13H,4,10H2/b11-5+.
What are the key properties of 2-[(E)-4-phenylbut-1-enyl]pyridine?
2-[(E)-4-phenylbut-1-enyl]pyridine has a molecular weight of 209.29 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-phenylbut-1-enyl]pyridine is sourced from PubChem (CID 68904767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).