1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-one

C15H15N3O — CID 129212277

IUPAC1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-one
SMILESC=C/C=C\C=C(/C)n1cc(-c2cn[nH]c2)ccc1=O
InChIInChI=1S/C15H15N3O/c1-3-4-5-6-12(2)18-11-13(7-8-15(18)19)14-9-16-17-10-14/h3-11H,1H2,2H3,(H,16,17)/b5-4-,12-6+
InChIKeyXXWZCCUUKAYZKE-QENXGIAESA-N
MW253.31 g/mol
LogP2.84
Rot. Bonds4

About 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-one

1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-one (PubChem CID 129212277) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-one
PubChem CID129212277
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-one
SMILESC=C/C=C\C=C(/C)n1cc(-c2cn[nH]c2)ccc1=O
InChIInChI=1S/C15H15N3O/c1-3-4-5-6-12(2)18-11-13(7-8-15(18)19)14-9-16-17-10-14/h3-11H,1H2,2H3,(H,16,17)/b5-4-,12-6+
InChIKeyXXWZCCUUKAYZKE-QENXGIAESA-N
XLogP2.84
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-one?
The IUPAC name of 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-one (CID 129212277) is 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-one.
What is the SMILES notation for 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-one?
The canonical SMILES for 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-one is C=C/C=C\C=C(/C)n1cc(-c2cn[nH]c2)ccc1=O.
What is the InChIKey of 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-one?
The InChIKey is XXWZCCUUKAYZKE-QENXGIAESA-N. The full InChI is InChI=1S/C15H15N3O/c1-3-4-5-6-12(2)18-11-13(7-8-15(18)19)14-9-16-17-10-14/h3-11H,1H2,2H3,(H,16,17)/b5-4-,12-6+.
What are the key properties of 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-one?
1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-one has a molecular weight of 253.31 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-one is sourced from PubChem (CID 129212277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).