7-(3-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

C16H15NO2S — CID 16763604

IUPAC7-(3-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESC=CCOc1cccc(C2CC(=O)Nc3ccsc32)c1
InChIInChI=1S/C16H15NO2S/c1-2-7-19-12-5-3-4-11(9-12)13-10-15(18)17-14-6-8-20-16(13)14/h2-6,8-9,13H,1,7,10H2,(H,17,18)
InChIKeyXGEIDZULIHAANZ-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.79
Rot. Bonds4

About 7-(3-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

7-(3-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 16763604) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 7-(3-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name7-(3-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID16763604
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name7-(3-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESC=CCOc1cccc(C2CC(=O)Nc3ccsc32)c1
InChIInChI=1S/C16H15NO2S/c1-2-7-19-12-5-3-4-11(9-12)13-10-15(18)17-14-6-8-20-16(13)14/h2-6,8-9,13H,1,7,10H2,(H,17,18)
InChIKeyXGEIDZULIHAANZ-UHFFFAOYSA-N
XLogP3.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
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 7-(3-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of 7-(3-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 16763604) is 7-(3-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 7-(3-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for 7-(3-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is C=CCOc1cccc(C2CC(=O)Nc3ccsc32)c1.
What is the InChIKey of 7-(3-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is XGEIDZULIHAANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-2-7-19-12-5-3-4-11(9-12)13-10-15(18)17-14-6-8-20-16(13)14/h2-6,8-9,13H,1,7,10H2,(H,17,18).
What are the key properties of 7-(3-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
7-(3-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 285.37 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-prop-2-enoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 16763604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).