2-[(2E)-2-ethenylpenta-2,4-dienoxy]-5-methylpyridine

C13H15NO — CID 144739359

IUPAC2-[(2E)-2-ethenylpenta-2,4-dienoxy]-5-methylpyridine
SMILESC=C/C=C(\C=C)COc1ccc(C)cn1
InChIInChI=1S/C13H15NO/c1-4-6-12(5-2)10-15-13-8-7-11(3)9-14-13/h4-9H,1-2,10H2,3H3/b12-6+
InChIKeyQIYQIIYEMIEIBA-WUXMJOGZSA-N
MW201.27 g/mol
LogP3.07
Rot. Bonds5

About 2-[(2E)-2-ethenylpenta-2,4-dienoxy]-5-methylpyridine

2-[(2E)-2-ethenylpenta-2,4-dienoxy]-5-methylpyridine (PubChem CID 144739359) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[(2E)-2-ethenylpenta-2,4-dienoxy]-5-methylpyridine.

Molecular Properties

Compound Name2-[(2E)-2-ethenylpenta-2,4-dienoxy]-5-methylpyridine
PubChem CID144739359
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-[(2E)-2-ethenylpenta-2,4-dienoxy]-5-methylpyridine
SMILESC=C/C=C(\C=C)COc1ccc(C)cn1
InChIInChI=1S/C13H15NO/c1-4-6-12(5-2)10-15-13-8-7-11(3)9-14-13/h4-9H,1-2,10H2,3H3/b12-6+
InChIKeyQIYQIIYEMIEIBA-WUXMJOGZSA-N
XLogP3.07
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-ethenylpenta-2,4-dienoxy]-5-methylpyridine?
The IUPAC name of 2-[(2E)-2-ethenylpenta-2,4-dienoxy]-5-methylpyridine (CID 144739359) is 2-[(2E)-2-ethenylpenta-2,4-dienoxy]-5-methylpyridine.
What is the SMILES notation for 2-[(2E)-2-ethenylpenta-2,4-dienoxy]-5-methylpyridine?
The canonical SMILES for 2-[(2E)-2-ethenylpenta-2,4-dienoxy]-5-methylpyridine is C=C/C=C(\C=C)COc1ccc(C)cn1.
What is the InChIKey of 2-[(2E)-2-ethenylpenta-2,4-dienoxy]-5-methylpyridine?
The InChIKey is QIYQIIYEMIEIBA-WUXMJOGZSA-N. The full InChI is InChI=1S/C13H15NO/c1-4-6-12(5-2)10-15-13-8-7-11(3)9-14-13/h4-9H,1-2,10H2,3H3/b12-6+.
What are the key properties of 2-[(2E)-2-ethenylpenta-2,4-dienoxy]-5-methylpyridine?
2-[(2E)-2-ethenylpenta-2,4-dienoxy]-5-methylpyridine has a molecular weight of 201.27 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-ethenylpenta-2,4-dienoxy]-5-methylpyridine is sourced from PubChem (CID 144739359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).