2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylpyridin-3-ol

C13H15NO — CID 89130139

IUPAC2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylpyridin-3-ol
SMILESC=C/C(=C\C=C/C)c1nccc(C)c1O
InChIInChI=1S/C13H15NO/c1-4-6-7-11(5-2)12-13(15)10(3)8-9-14-12/h4-9,15H,2H2,1,3H3/b6-4-,11-7+
InChIKeyZSTWTYCAOGEGJW-WXVRQDIQSA-N
MW201.27 g/mol
LogP3.24
Rot. Bonds3

About 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylpyridin-3-ol

2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylpyridin-3-ol (PubChem CID 89130139) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylpyridin-3-ol
PubChem CID89130139
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylpyridin-3-ol
SMILESC=C/C(=C\C=C/C)c1nccc(C)c1O
InChIInChI=1S/C13H15NO/c1-4-6-7-11(5-2)12-13(15)10(3)8-9-14-12/h4-9,15H,2H2,1,3H3/b6-4-,11-7+
InChIKeyZSTWTYCAOGEGJW-WXVRQDIQSA-N
XLogP3.24
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.24
H-Bond Donors ≤ 51
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-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylpyridin-3-ol?
The IUPAC name of 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylpyridin-3-ol (CID 89130139) is 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylpyridin-3-ol.
What is the SMILES notation for 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylpyridin-3-ol?
The canonical SMILES for 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylpyridin-3-ol is C=C/C(=C\C=C/C)c1nccc(C)c1O.
What is the InChIKey of 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylpyridin-3-ol?
The InChIKey is ZSTWTYCAOGEGJW-WXVRQDIQSA-N. The full InChI is InChI=1S/C13H15NO/c1-4-6-7-11(5-2)12-13(15)10(3)8-9-14-12/h4-9,15H,2H2,1,3H3/b6-4-,11-7+.
What are the key properties of 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylpyridin-3-ol?
2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylpyridin-3-ol has a molecular weight of 201.27 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylpyridin-3-ol is sourced from PubChem (CID 89130139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).