5-(2-methylhepta-1,3,5-trien-4-yl)-1H-pyridin-2-one

C13H15NO — CID 123859133

IUPAC5-(2-methylhepta-1,3,5-trien-4-yl)-1H-pyridin-2-one
SMILESC=C(C)C=C(C=CC)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H15NO/c1-4-5-11(8-10(2)3)12-6-7-13(15)14-9-12/h4-9H,2H2,1,3H3,(H,14,15)
InChIKeyUWQZWEVVXYQPPN-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.91
Rot. Bonds3

About 5-(2-methylhepta-1,3,5-trien-4-yl)-1H-pyridin-2-one

5-(2-methylhepta-1,3,5-trien-4-yl)-1H-pyridin-2-one (PubChem CID 123859133) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-(2-methylhepta-1,3,5-trien-4-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(2-methylhepta-1,3,5-trien-4-yl)-1H-pyridin-2-one
PubChem CID123859133
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name5-(2-methylhepta-1,3,5-trien-4-yl)-1H-pyridin-2-one
SMILESC=C(C)C=C(C=CC)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H15NO/c1-4-5-11(8-10(2)3)12-6-7-13(15)14-9-12/h4-9H,2H2,1,3H3,(H,14,15)
InChIKeyUWQZWEVVXYQPPN-UHFFFAOYSA-N
XLogP2.91
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
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 5-(2-methylhepta-1,3,5-trien-4-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(2-methylhepta-1,3,5-trien-4-yl)-1H-pyridin-2-one (CID 123859133) is 5-(2-methylhepta-1,3,5-trien-4-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(2-methylhepta-1,3,5-trien-4-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(2-methylhepta-1,3,5-trien-4-yl)-1H-pyridin-2-one is C=C(C)C=C(C=CC)c1ccc(=O)[nH]c1.
What is the InChIKey of 5-(2-methylhepta-1,3,5-trien-4-yl)-1H-pyridin-2-one?
The InChIKey is UWQZWEVVXYQPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-4-5-11(8-10(2)3)12-6-7-13(15)14-9-12/h4-9H,2H2,1,3H3,(H,14,15).
What are the key properties of 5-(2-methylhepta-1,3,5-trien-4-yl)-1H-pyridin-2-one?
5-(2-methylhepta-1,3,5-trien-4-yl)-1H-pyridin-2-one has a molecular weight of 201.27 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylhepta-1,3,5-trien-4-yl)-1H-pyridin-2-one is sourced from PubChem (CID 123859133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).