2-[[(E)-2-phenylethenoxy]methyl]pyridine

C14H13NO — CID 14711446

IUPAC2-[[(E)-2-phenylethenoxy]methyl]pyridine
SMILESC(=C/c1ccccc1)\OCc1ccccn1
InChIInChI=1S/C14H13NO/c1-2-6-13(7-3-1)9-11-16-12-14-8-4-5-10-15-14/h1-11H,12H2/b11-9+
InChIKeyPETNSNZINCMKDM-PKNBQFBNSA-N
MW211.26 g/mol
LogP3.27
Rot. Bonds4

About 2-[[(E)-2-phenylethenoxy]methyl]pyridine

2-[[(E)-2-phenylethenoxy]methyl]pyridine (PubChem CID 14711446) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[[(E)-2-phenylethenoxy]methyl]pyridine.

Molecular Properties

Compound Name2-[[(E)-2-phenylethenoxy]methyl]pyridine
PubChem CID14711446
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name2-[[(E)-2-phenylethenoxy]methyl]pyridine
SMILESC(=C/c1ccccc1)\OCc1ccccn1
InChIInChI=1S/C14H13NO/c1-2-6-13(7-3-1)9-11-16-12-14-8-4-5-10-15-14/h1-11H,12H2/b11-9+
InChIKeyPETNSNZINCMKDM-PKNBQFBNSA-N
XLogP3.27
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-phenylethenoxy]methyl]pyridine?
The IUPAC name of 2-[[(E)-2-phenylethenoxy]methyl]pyridine (CID 14711446) is 2-[[(E)-2-phenylethenoxy]methyl]pyridine.
What is the SMILES notation for 2-[[(E)-2-phenylethenoxy]methyl]pyridine?
The canonical SMILES for 2-[[(E)-2-phenylethenoxy]methyl]pyridine is C(=C/c1ccccc1)\OCc1ccccn1.
What is the InChIKey of 2-[[(E)-2-phenylethenoxy]methyl]pyridine?
The InChIKey is PETNSNZINCMKDM-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H13NO/c1-2-6-13(7-3-1)9-11-16-12-14-8-4-5-10-15-14/h1-11H,12H2/b11-9+.
What are the key properties of 2-[[(E)-2-phenylethenoxy]methyl]pyridine?
2-[[(E)-2-phenylethenoxy]methyl]pyridine has a molecular weight of 211.26 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-phenylethenoxy]methyl]pyridine is sourced from PubChem (CID 14711446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).