4-but-3-enoxy-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one

C16H15Cl2NO2 — CID 16656975

IUPAC4-but-3-enoxy-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one
SMILESC=CCCOc1ccn(Cc2ccc(Cl)cc2Cl)c(=O)c1
InChIInChI=1S/C16H15Cl2NO2/c1-2-3-8-21-14-6-7-19(16(20)10-14)11-12-4-5-13(17)9-15(12)18/h2,4-7,9-10H,1,3,8,11H2
InChIKeyPUBZTFWYZNIPNV-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.16
Rot. Bonds6

About 4-but-3-enoxy-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one

4-but-3-enoxy-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one (PubChem CID 16656975) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is 4-but-3-enoxy-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name4-but-3-enoxy-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one
PubChem CID16656975
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name4-but-3-enoxy-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one
SMILESC=CCCOc1ccn(Cc2ccc(Cl)cc2Cl)c(=O)c1
InChIInChI=1S/C16H15Cl2NO2/c1-2-3-8-21-14-6-7-19(16(20)10-14)11-12-4-5-13(17)9-15(12)18/h2,4-7,9-10H,1,3,8,11H2
InChIKeyPUBZTFWYZNIPNV-UHFFFAOYSA-N
XLogP4.16
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-but-3-enoxy-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one?
The IUPAC name of 4-but-3-enoxy-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one (CID 16656975) is 4-but-3-enoxy-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 4-but-3-enoxy-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 4-but-3-enoxy-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one is C=CCCOc1ccn(Cc2ccc(Cl)cc2Cl)c(=O)c1.
What is the InChIKey of 4-but-3-enoxy-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one?
The InChIKey is PUBZTFWYZNIPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-2-3-8-21-14-6-7-19(16(20)10-14)11-12-4-5-13(17)9-15(12)18/h2,4-7,9-10H,1,3,8,11H2.
What are the key properties of 4-but-3-enoxy-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one?
4-but-3-enoxy-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one has a molecular weight of 324.21 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enoxy-1-[(2,4-dichlorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 16656975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).