4-(3,5-dimethylphenoxy)-3-ethenyl-5-ethyl-6-methyl-1H-pyridin-2-one

C18H21NO2 — CID 10469054

IUPAC4-(3,5-dimethylphenoxy)-3-ethenyl-5-ethyl-6-methyl-1H-pyridin-2-one
SMILESC=Cc1c(Oc2cc(C)cc(C)c2)c(CC)c(C)[nH]c1=O
InChIInChI=1S/C18H21NO2/c1-6-15-13(5)19-18(20)16(7-2)17(15)21-14-9-11(3)8-12(4)10-14/h7-10H,2,6H2,1,3-5H3,(H,19,20)
InChIKeyBDFLYDFJTMJIBC-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.30
Rot. Bonds4

About 4-(3,5-dimethylphenoxy)-3-ethenyl-5-ethyl-6-methyl-1H-pyridin-2-one

4-(3,5-dimethylphenoxy)-3-ethenyl-5-ethyl-6-methyl-1H-pyridin-2-one (PubChem CID 10469054) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-(3,5-dimethylphenoxy)-3-ethenyl-5-ethyl-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(3,5-dimethylphenoxy)-3-ethenyl-5-ethyl-6-methyl-1H-pyridin-2-one
PubChem CID10469054
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name4-(3,5-dimethylphenoxy)-3-ethenyl-5-ethyl-6-methyl-1H-pyridin-2-one
SMILESC=Cc1c(Oc2cc(C)cc(C)c2)c(CC)c(C)[nH]c1=O
InChIInChI=1S/C18H21NO2/c1-6-15-13(5)19-18(20)16(7-2)17(15)21-14-9-11(3)8-12(4)10-14/h7-10H,2,6H2,1,3-5H3,(H,19,20)
InChIKeyBDFLYDFJTMJIBC-UHFFFAOYSA-N
XLogP4.30
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenoxy)-3-ethenyl-5-ethyl-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-(3,5-dimethylphenoxy)-3-ethenyl-5-ethyl-6-methyl-1H-pyridin-2-one (CID 10469054) is 4-(3,5-dimethylphenoxy)-3-ethenyl-5-ethyl-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-(3,5-dimethylphenoxy)-3-ethenyl-5-ethyl-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-(3,5-dimethylphenoxy)-3-ethenyl-5-ethyl-6-methyl-1H-pyridin-2-one is C=Cc1c(Oc2cc(C)cc(C)c2)c(CC)c(C)[nH]c1=O.
What is the InChIKey of 4-(3,5-dimethylphenoxy)-3-ethenyl-5-ethyl-6-methyl-1H-pyridin-2-one?
The InChIKey is BDFLYDFJTMJIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-6-15-13(5)19-18(20)16(7-2)17(15)21-14-9-11(3)8-12(4)10-14/h7-10H,2,6H2,1,3-5H3,(H,19,20).
What are the key properties of 4-(3,5-dimethylphenoxy)-3-ethenyl-5-ethyl-6-methyl-1H-pyridin-2-one?
4-(3,5-dimethylphenoxy)-3-ethenyl-5-ethyl-6-methyl-1H-pyridin-2-one has a molecular weight of 283.37 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenoxy)-3-ethenyl-5-ethyl-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 10469054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).