6-(2-chloro-4-prop-2-enoxyphenyl)-1-methylpyridin-2-one

C15H14ClNO2 — CID 159691735

IUPAC6-(2-chloro-4-prop-2-enoxyphenyl)-1-methylpyridin-2-one
SMILESC=CCOc1ccc(-c2cccc(=O)n2C)c(Cl)c1
InChIInChI=1S/C15H14ClNO2/c1-3-9-19-11-7-8-12(13(16)10-11)14-5-4-6-15(18)17(14)2/h3-8,10H,1,9H2,2H3
InChIKeyHBFVMMDKTNEIQX-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.27
Rot. Bonds4

About 6-(2-chloro-4-prop-2-enoxyphenyl)-1-methylpyridin-2-one

6-(2-chloro-4-prop-2-enoxyphenyl)-1-methylpyridin-2-one (PubChem CID 159691735) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 6-(2-chloro-4-prop-2-enoxyphenyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name6-(2-chloro-4-prop-2-enoxyphenyl)-1-methylpyridin-2-one
PubChem CID159691735
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name6-(2-chloro-4-prop-2-enoxyphenyl)-1-methylpyridin-2-one
SMILESC=CCOc1ccc(-c2cccc(=O)n2C)c(Cl)c1
InChIInChI=1S/C15H14ClNO2/c1-3-9-19-11-7-8-12(13(16)10-11)14-5-4-6-15(18)17(14)2/h3-8,10H,1,9H2,2H3
InChIKeyHBFVMMDKTNEIQX-UHFFFAOYSA-N
XLogP3.27
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-prop-2-enoxyphenyl)-1-methylpyridin-2-one?
The IUPAC name of 6-(2-chloro-4-prop-2-enoxyphenyl)-1-methylpyridin-2-one (CID 159691735) is 6-(2-chloro-4-prop-2-enoxyphenyl)-1-methylpyridin-2-one.
What is the SMILES notation for 6-(2-chloro-4-prop-2-enoxyphenyl)-1-methylpyridin-2-one?
The canonical SMILES for 6-(2-chloro-4-prop-2-enoxyphenyl)-1-methylpyridin-2-one is C=CCOc1ccc(-c2cccc(=O)n2C)c(Cl)c1.
What is the InChIKey of 6-(2-chloro-4-prop-2-enoxyphenyl)-1-methylpyridin-2-one?
The InChIKey is HBFVMMDKTNEIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-3-9-19-11-7-8-12(13(16)10-11)14-5-4-6-15(18)17(14)2/h3-8,10H,1,9H2,2H3.
What are the key properties of 6-(2-chloro-4-prop-2-enoxyphenyl)-1-methylpyridin-2-one?
6-(2-chloro-4-prop-2-enoxyphenyl)-1-methylpyridin-2-one has a molecular weight of 275.74 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-prop-2-enoxyphenyl)-1-methylpyridin-2-one is sourced from PubChem (CID 159691735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).