1-thieno[3,2-b]pyridin-6-ylbut-3-en-1-ol

C11H11NOS — CID 81144232

IUPAC1-thieno[3,2-b]pyridin-6-ylbut-3-en-1-ol
SMILESC=CCC(O)c1cnc2ccsc2c1
InChIInChI=1S/C11H11NOS/c1-2-3-10(13)8-6-11-9(12-7-8)4-5-14-11/h2,4-7,10,13H,1,3H2
InChIKeyFEGYIIFIIVVFDQ-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.91
Rot. Bonds3

About 1-thieno[3,2-b]pyridin-6-ylbut-3-en-1-ol

1-thieno[3,2-b]pyridin-6-ylbut-3-en-1-ol (PubChem CID 81144232) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 1-thieno[3,2-b]pyridin-6-ylbut-3-en-1-ol.

Molecular Properties

Compound Name1-thieno[3,2-b]pyridin-6-ylbut-3-en-1-ol
PubChem CID81144232
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name1-thieno[3,2-b]pyridin-6-ylbut-3-en-1-ol
SMILESC=CCC(O)c1cnc2ccsc2c1
InChIInChI=1S/C11H11NOS/c1-2-3-10(13)8-6-11-9(12-7-8)4-5-14-11/h2,4-7,10,13H,1,3H2
InChIKeyFEGYIIFIIVVFDQ-UHFFFAOYSA-N
XLogP2.91
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.91
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 1-thieno[3,2-b]pyridin-6-ylbut-3-en-1-ol?
The IUPAC name of 1-thieno[3,2-b]pyridin-6-ylbut-3-en-1-ol (CID 81144232) is 1-thieno[3,2-b]pyridin-6-ylbut-3-en-1-ol.
What is the SMILES notation for 1-thieno[3,2-b]pyridin-6-ylbut-3-en-1-ol?
The canonical SMILES for 1-thieno[3,2-b]pyridin-6-ylbut-3-en-1-ol is C=CCC(O)c1cnc2ccsc2c1.
What is the InChIKey of 1-thieno[3,2-b]pyridin-6-ylbut-3-en-1-ol?
The InChIKey is FEGYIIFIIVVFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-2-3-10(13)8-6-11-9(12-7-8)4-5-14-11/h2,4-7,10,13H,1,3H2.
What are the key properties of 1-thieno[3,2-b]pyridin-6-ylbut-3-en-1-ol?
1-thieno[3,2-b]pyridin-6-ylbut-3-en-1-ol has a molecular weight of 205.28 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thieno[3,2-b]pyridin-6-ylbut-3-en-1-ol is sourced from PubChem (CID 81144232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).