6-[(1E,3E)-penta-1,3-dienyl]-2,3-dihydro-1H-pyridin-4-one

C10H13NO — CID 10464645

IUPAC6-[(1E,3E)-penta-1,3-dienyl]-2,3-dihydro-1H-pyridin-4-one
SMILESC/C=C/C=C/C1=CC(=O)CCN1
InChIInChI=1S/C10H13NO/c1-2-3-4-5-9-8-10(12)6-7-11-9/h2-5,8,11H,6-7H2,1H3/b3-2+,5-4+
InChIKeyJQRBQNKJVCLWIK-MQQKCMAXSA-N
MW163.22 g/mol
LogP1.57
Rot. Bonds2

About 6-[(1E,3E)-penta-1,3-dienyl]-2,3-dihydro-1H-pyridin-4-one

6-[(1E,3E)-penta-1,3-dienyl]-2,3-dihydro-1H-pyridin-4-one (PubChem CID 10464645) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 6-[(1E,3E)-penta-1,3-dienyl]-2,3-dihydro-1H-pyridin-4-one.

Molecular Properties

Compound Name6-[(1E,3E)-penta-1,3-dienyl]-2,3-dihydro-1H-pyridin-4-one
PubChem CID10464645
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name6-[(1E,3E)-penta-1,3-dienyl]-2,3-dihydro-1H-pyridin-4-one
SMILESC/C=C/C=C/C1=CC(=O)CCN1
InChIInChI=1S/C10H13NO/c1-2-3-4-5-9-8-10(12)6-7-11-9/h2-5,8,11H,6-7H2,1H3/b3-2+,5-4+
InChIKeyJQRBQNKJVCLWIK-MQQKCMAXSA-N
XLogP1.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.57
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 6-[(1E,3E)-penta-1,3-dienyl]-2,3-dihydro-1H-pyridin-4-one?
The IUPAC name of 6-[(1E,3E)-penta-1,3-dienyl]-2,3-dihydro-1H-pyridin-4-one (CID 10464645) is 6-[(1E,3E)-penta-1,3-dienyl]-2,3-dihydro-1H-pyridin-4-one.
What is the SMILES notation for 6-[(1E,3E)-penta-1,3-dienyl]-2,3-dihydro-1H-pyridin-4-one?
The canonical SMILES for 6-[(1E,3E)-penta-1,3-dienyl]-2,3-dihydro-1H-pyridin-4-one is C/C=C/C=C/C1=CC(=O)CCN1.
What is the InChIKey of 6-[(1E,3E)-penta-1,3-dienyl]-2,3-dihydro-1H-pyridin-4-one?
The InChIKey is JQRBQNKJVCLWIK-MQQKCMAXSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-3-4-5-9-8-10(12)6-7-11-9/h2-5,8,11H,6-7H2,1H3/b3-2+,5-4+.
What are the key properties of 6-[(1E,3E)-penta-1,3-dienyl]-2,3-dihydro-1H-pyridin-4-one?
6-[(1E,3E)-penta-1,3-dienyl]-2,3-dihydro-1H-pyridin-4-one has a molecular weight of 163.22 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1E,3E)-penta-1,3-dienyl]-2,3-dihydro-1H-pyridin-4-one is sourced from PubChem (CID 10464645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).