1-pent-4-enylpyridin-4-one

C10H13NO — CID 13275571

IUPAC1-pent-4-enylpyridin-4-one
SMILESC=CCCCn1ccc(=O)cc1
InChIInChI=1S/C10H13NO/c1-2-3-4-7-11-8-5-10(12)6-9-11/h2,5-6,8-9H,1,3-4,7H2
InChIKeyXMUQKRJKPBMRHP-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.81
Rot. Bonds4

About 1-pent-4-enylpyridin-4-one

1-pent-4-enylpyridin-4-one (PubChem CID 13275571) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-pent-4-enylpyridin-4-one.

Molecular Properties

Compound Name1-pent-4-enylpyridin-4-one
PubChem CID13275571
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-pent-4-enylpyridin-4-one
SMILESC=CCCCn1ccc(=O)cc1
InChIInChI=1S/C10H13NO/c1-2-3-4-7-11-8-5-10(12)6-9-11/h2,5-6,8-9H,1,3-4,7H2
InChIKeyXMUQKRJKPBMRHP-UHFFFAOYSA-N
XLogP1.81
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pent-4-enylpyridin-4-one?
The IUPAC name of 1-pent-4-enylpyridin-4-one (CID 13275571) is 1-pent-4-enylpyridin-4-one.
What is the SMILES notation for 1-pent-4-enylpyridin-4-one?
The canonical SMILES for 1-pent-4-enylpyridin-4-one is C=CCCCn1ccc(=O)cc1.
What is the InChIKey of 1-pent-4-enylpyridin-4-one?
The InChIKey is XMUQKRJKPBMRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-3-4-7-11-8-5-10(12)6-9-11/h2,5-6,8-9H,1,3-4,7H2.
What are the key properties of 1-pent-4-enylpyridin-4-one?
1-pent-4-enylpyridin-4-one has a molecular weight of 163.22 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-enylpyridin-4-one is sourced from PubChem (CID 13275571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).