chlorocyclobutane;5-(4-ethyl-3-methoxyphenyl)-1,3-dimethylpyridin-2-one

C20H26ClNO2 — CID 145148149

IUPACchlorocyclobutane;5-(4-ethyl-3-methoxyphenyl)-1,3-dimethylpyridin-2-one
SMILESCCc1ccc(-c2cc(C)c(=O)n(C)c2)cc1OC.ClC1CCC1
InChIInChI=1S/C16H19NO2.C4H7Cl/c1-5-12-6-7-13(9-15(12)19-4)14-8-11(2)16(18)17(3)10-14;5-4-2-1-3-4/h6-10H,5H2,1-4H3;4H,1-3H2
InChIKeyJTZDCGGITPWFTM-UHFFFAOYSA-N
MW347.89 g/mol
LogP4.71
Rot. Bonds3

About chlorocyclobutane;5-(4-ethyl-3-methoxyphenyl)-1,3-dimethylpyridin-2-one

chlorocyclobutane;5-(4-ethyl-3-methoxyphenyl)-1,3-dimethylpyridin-2-one (PubChem CID 145148149) has the molecular formula C20H26ClNO2 and a molecular weight of 347.89 g/mol. Its IUPAC name is chlorocyclobutane;5-(4-ethyl-3-methoxyphenyl)-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Namechlorocyclobutane;5-(4-ethyl-3-methoxyphenyl)-1,3-dimethylpyridin-2-one
PubChem CID145148149
Molecular FormulaC20H26ClNO2
Molecular Weight347.89 g/mol
Exact Mass347.17
IUPAC Namechlorocyclobutane;5-(4-ethyl-3-methoxyphenyl)-1,3-dimethylpyridin-2-one
SMILESCCc1ccc(-c2cc(C)c(=O)n(C)c2)cc1OC.ClC1CCC1
InChIInChI=1S/C16H19NO2.C4H7Cl/c1-5-12-6-7-13(9-15(12)19-4)14-8-11(2)16(18)17(3)10-14;5-4-2-1-3-4/h6-10H,5H2,1-4H3;4H,1-3H2
InChIKeyJTZDCGGITPWFTM-UHFFFAOYSA-N
XLogP4.71
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chlorocyclobutane;5-(4-ethyl-3-methoxyphenyl)-1,3-dimethylpyridin-2-one?
The IUPAC name of chlorocyclobutane;5-(4-ethyl-3-methoxyphenyl)-1,3-dimethylpyridin-2-one (CID 145148149) is chlorocyclobutane;5-(4-ethyl-3-methoxyphenyl)-1,3-dimethylpyridin-2-one.
What is the SMILES notation for chlorocyclobutane;5-(4-ethyl-3-methoxyphenyl)-1,3-dimethylpyridin-2-one?
The canonical SMILES for chlorocyclobutane;5-(4-ethyl-3-methoxyphenyl)-1,3-dimethylpyridin-2-one is CCc1ccc(-c2cc(C)c(=O)n(C)c2)cc1OC.ClC1CCC1.
What is the InChIKey of chlorocyclobutane;5-(4-ethyl-3-methoxyphenyl)-1,3-dimethylpyridin-2-one?
The InChIKey is JTZDCGGITPWFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2.C4H7Cl/c1-5-12-6-7-13(9-15(12)19-4)14-8-11(2)16(18)17(3)10-14;5-4-2-1-3-4/h6-10H,5H2,1-4H3;4H,1-3H2.
What are the key properties of chlorocyclobutane;5-(4-ethyl-3-methoxyphenyl)-1,3-dimethylpyridin-2-one?
chlorocyclobutane;5-(4-ethyl-3-methoxyphenyl)-1,3-dimethylpyridin-2-one has a molecular weight of 347.89 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chlorocyclobutane;5-(4-ethyl-3-methoxyphenyl)-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 145148149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).