5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-ylidenemethanone

C8H9NOS — CID 175958536

IUPAC5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-ylidenemethanone
SMILESO=C=C1C=C2CNCCC2S1
InChIInChI=1S/C8H9NOS/c10-5-7-3-6-4-9-2-1-8(6)11-7/h3,8-9H,1-2,4H2
InChIKeyKGOFTUYDXDGNQM-UHFFFAOYSA-N
MW167.23 g/mol
LogP0.74
Rot. Bonds

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

5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-ylidenemethanone (PubChem CID 175958536) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is 5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-ylidenemethanone.

Molecular Properties

Compound Name5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-ylidenemethanone
PubChem CID175958536
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-ylidenemethanone
SMILESO=C=C1C=C2CNCCC2S1
InChIInChI=1S/C8H9NOS/c10-5-7-3-6-4-9-2-1-8(6)11-7/h3,8-9H,1-2,4H2
InChIKeyKGOFTUYDXDGNQM-UHFFFAOYSA-N
XLogP0.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-ylidenemethanone?
The IUPAC name of 5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-ylidenemethanone (CID 175958536) is 5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-ylidenemethanone.
What is the SMILES notation for 5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-ylidenemethanone?
The canonical SMILES for 5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-ylidenemethanone is O=C=C1C=C2CNCCC2S1.
What is the InChIKey of 5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-ylidenemethanone?
The InChIKey is KGOFTUYDXDGNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c10-5-7-3-6-4-9-2-1-8(6)11-7/h3,8-9H,1-2,4H2.
What are the key properties of 5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-ylidenemethanone?
5,6,7,7a-tetrahydro-4H-thieno[3,2-c]pyridin-2-ylidenemethanone has a molecular weight of 167.23 g/mol, XLogP of 0.74, 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[3,2-c]pyridin-2-ylidenemethanone is sourced from PubChem (CID 175958536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).