5-(2-ethenylhexa-2,4-dienylsulfonyl)-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one

C17H23NO6S — CID 123616215

IUPAC5-(2-ethenylhexa-2,4-dienylsulfonyl)-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one
SMILESC=CC(=CC=CC)CS(=O)(=O)c1cc(OCOC)c(=O)n(COC)c1
InChIInChI=1S/C17H23NO6S/c1-5-7-8-14(6-2)11-25(20,21)15-9-16(24-13-23-4)17(19)18(10-15)12-22-3/h5-10H,2,11-13H2,1,3-4H3
InChIKeyPPOCLXZHUZYPTD-UHFFFAOYSA-N
MW369.44 g/mol
LogP1.90
Rot. Bonds10

About 5-(2-ethenylhexa-2,4-dienylsulfonyl)-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one

5-(2-ethenylhexa-2,4-dienylsulfonyl)-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one (PubChem CID 123616215) has the molecular formula C17H23NO6S and a molecular weight of 369.44 g/mol. Its IUPAC name is 5-(2-ethenylhexa-2,4-dienylsulfonyl)-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one.

Molecular Properties

Compound Name5-(2-ethenylhexa-2,4-dienylsulfonyl)-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one
PubChem CID123616215
Molecular FormulaC17H23NO6S
Molecular Weight369.44 g/mol
Exact Mass369.12
IUPAC Name5-(2-ethenylhexa-2,4-dienylsulfonyl)-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one
SMILESC=CC(=CC=CC)CS(=O)(=O)c1cc(OCOC)c(=O)n(COC)c1
InChIInChI=1S/C17H23NO6S/c1-5-7-8-14(6-2)11-25(20,21)15-9-16(24-13-23-4)17(19)18(10-15)12-22-3/h5-10H,2,11-13H2,1,3-4H3
InChIKeyPPOCLXZHUZYPTD-UHFFFAOYSA-N
XLogP1.90
TPSA83.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 5-(2-ethenylhexa-2,4-dienylsulfonyl)-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethenylhexa-2,4-dienylsulfonyl)-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one?
The IUPAC name of 5-(2-ethenylhexa-2,4-dienylsulfonyl)-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one (CID 123616215) is 5-(2-ethenylhexa-2,4-dienylsulfonyl)-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one.
What is the SMILES notation for 5-(2-ethenylhexa-2,4-dienylsulfonyl)-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one?
The canonical SMILES for 5-(2-ethenylhexa-2,4-dienylsulfonyl)-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one is C=CC(=CC=CC)CS(=O)(=O)c1cc(OCOC)c(=O)n(COC)c1.
What is the InChIKey of 5-(2-ethenylhexa-2,4-dienylsulfonyl)-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one?
The InChIKey is PPOCLXZHUZYPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO6S/c1-5-7-8-14(6-2)11-25(20,21)15-9-16(24-13-23-4)17(19)18(10-15)12-22-3/h5-10H,2,11-13H2,1,3-4H3.
What are the key properties of 5-(2-ethenylhexa-2,4-dienylsulfonyl)-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one?
5-(2-ethenylhexa-2,4-dienylsulfonyl)-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one has a molecular weight of 369.44 g/mol, XLogP of 1.90, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethenylhexa-2,4-dienylsulfonyl)-3-(methoxymethoxy)-1-(methoxymethyl)pyridin-2-one is sourced from PubChem (CID 123616215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).