5,6,7,7a-tetrahydro-4H-thieno[2,3-b]pyridin-2-one

C7H9NOS — CID 67209126

IUPAC5,6,7,7a-tetrahydro-4H-thieno[2,3-b]pyridin-2-one
SMILESO=C1C=C2CCCNC2S1
InChIInChI=1S/C7H9NOS/c9-6-4-5-2-1-3-8-7(5)10-6/h4,7-8H,1-3H2
InChIKeyOJQOXGXUGLADIE-UHFFFAOYSA-N
MW155.22 g/mol
LogP0.90
Rot. Bonds

About 5,6,7,7a-tetrahydro-4H-thieno[2,3-b]pyridin-2-one

5,6,7,7a-tetrahydro-4H-thieno[2,3-b]pyridin-2-one (PubChem CID 67209126) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 5,6,7,7a-tetrahydro-4H-thieno[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name5,6,7,7a-tetrahydro-4H-thieno[2,3-b]pyridin-2-one
PubChem CID67209126
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name5,6,7,7a-tetrahydro-4H-thieno[2,3-b]pyridin-2-one
SMILESO=C1C=C2CCCNC2S1
InChIInChI=1S/C7H9NOS/c9-6-4-5-2-1-3-8-7(5)10-6/h4,7-8H,1-3H2
InChIKeyOJQOXGXUGLADIE-UHFFFAOYSA-N
XLogP0.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,7a-tetrahydro-4H-thieno[2,3-b]pyridin-2-one?
The IUPAC name of 5,6,7,7a-tetrahydro-4H-thieno[2,3-b]pyridin-2-one (CID 67209126) is 5,6,7,7a-tetrahydro-4H-thieno[2,3-b]pyridin-2-one.
What is the SMILES notation for 5,6,7,7a-tetrahydro-4H-thieno[2,3-b]pyridin-2-one?
The canonical SMILES for 5,6,7,7a-tetrahydro-4H-thieno[2,3-b]pyridin-2-one is O=C1C=C2CCCNC2S1.
What is the InChIKey of 5,6,7,7a-tetrahydro-4H-thieno[2,3-b]pyridin-2-one?
The InChIKey is OJQOXGXUGLADIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c9-6-4-5-2-1-3-8-7(5)10-6/h4,7-8H,1-3H2.
What are the key properties of 5,6,7,7a-tetrahydro-4H-thieno[2,3-b]pyridin-2-one?
5,6,7,7a-tetrahydro-4H-thieno[2,3-b]pyridin-2-one has a molecular weight of 155.22 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,7a-tetrahydro-4H-thieno[2,3-b]pyridin-2-one is sourced from PubChem (CID 67209126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).