4-(1-ethoxyethenyl)thieno[3,2-c]pyridine

C11H11NOS — CID 135337046

IUPAC4-(1-ethoxyethenyl)thieno[3,2-c]pyridine
SMILESC=C(OCC)c1nccc2sccc12
InChIInChI=1S/C11H11NOS/c1-3-13-8(2)11-9-5-7-14-10(9)4-6-12-11/h4-7H,2-3H2,1H3
InChIKeyVNOHTLYCFUTGGB-UHFFFAOYSA-N
MW205.28 g/mol
LogP3.30
Rot. Bonds3

About 4-(1-ethoxyethenyl)thieno[3,2-c]pyridine

4-(1-ethoxyethenyl)thieno[3,2-c]pyridine (PubChem CID 135337046) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 4-(1-ethoxyethenyl)thieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(1-ethoxyethenyl)thieno[3,2-c]pyridine
PubChem CID135337046
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name4-(1-ethoxyethenyl)thieno[3,2-c]pyridine
SMILESC=C(OCC)c1nccc2sccc12
InChIInChI=1S/C11H11NOS/c1-3-13-8(2)11-9-5-7-14-10(9)4-6-12-11/h4-7H,2-3H2,1H3
InChIKeyVNOHTLYCFUTGGB-UHFFFAOYSA-N
XLogP3.30
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxyethenyl)thieno[3,2-c]pyridine?
The IUPAC name of 4-(1-ethoxyethenyl)thieno[3,2-c]pyridine (CID 135337046) is 4-(1-ethoxyethenyl)thieno[3,2-c]pyridine.
What is the SMILES notation for 4-(1-ethoxyethenyl)thieno[3,2-c]pyridine?
The canonical SMILES for 4-(1-ethoxyethenyl)thieno[3,2-c]pyridine is C=C(OCC)c1nccc2sccc12.
What is the InChIKey of 4-(1-ethoxyethenyl)thieno[3,2-c]pyridine?
The InChIKey is VNOHTLYCFUTGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-3-13-8(2)11-9-5-7-14-10(9)4-6-12-11/h4-7H,2-3H2,1H3.
What are the key properties of 4-(1-ethoxyethenyl)thieno[3,2-c]pyridine?
4-(1-ethoxyethenyl)thieno[3,2-c]pyridine has a molecular weight of 205.28 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxyethenyl)thieno[3,2-c]pyridine is sourced from PubChem (CID 135337046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).