4-prop-2-enylthieno[3,2-c]pyridine

C10H9NS — CID 12827313

IUPAC4-prop-2-enylthieno[3,2-c]pyridine
SMILESC=CCc1nccc2sccc12
InChIInChI=1S/C10H9NS/c1-2-3-9-8-5-7-12-10(8)4-6-11-9/h2,4-7H,1,3H2
InChIKeySGWRJAVHKBQFPC-UHFFFAOYSA-N
MW175.26 g/mol
LogP3.02
Rot. Bonds2

About 4-prop-2-enylthieno[3,2-c]pyridine

4-prop-2-enylthieno[3,2-c]pyridine (PubChem CID 12827313) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 4-prop-2-enylthieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-prop-2-enylthieno[3,2-c]pyridine
PubChem CID12827313
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name4-prop-2-enylthieno[3,2-c]pyridine
SMILESC=CCc1nccc2sccc12
InChIInChI=1S/C10H9NS/c1-2-3-9-8-5-7-12-10(8)4-6-11-9/h2,4-7H,1,3H2
InChIKeySGWRJAVHKBQFPC-UHFFFAOYSA-N
XLogP3.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-prop-2-enylthieno[3,2-c]pyridine?
The IUPAC name of 4-prop-2-enylthieno[3,2-c]pyridine (CID 12827313) is 4-prop-2-enylthieno[3,2-c]pyridine.
What is the SMILES notation for 4-prop-2-enylthieno[3,2-c]pyridine?
The canonical SMILES for 4-prop-2-enylthieno[3,2-c]pyridine is C=CCc1nccc2sccc12.
What is the InChIKey of 4-prop-2-enylthieno[3,2-c]pyridine?
The InChIKey is SGWRJAVHKBQFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c1-2-3-9-8-5-7-12-10(8)4-6-11-9/h2,4-7H,1,3H2.
What are the key properties of 4-prop-2-enylthieno[3,2-c]pyridine?
4-prop-2-enylthieno[3,2-c]pyridine has a molecular weight of 175.26 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylthieno[3,2-c]pyridine is sourced from PubChem (CID 12827313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).