2-(3-methylbut-2-enoxy)-6-thiophen-3-ylpyridine

C14H15NOS — CID 4554392

IUPAC2-(3-methylbut-2-enoxy)-6-thiophen-3-ylpyridine
SMILESCC(C)=CCOc1cccc(-c2ccsc2)n1
InChIInChI=1S/C14H15NOS/c1-11(2)6-8-16-14-5-3-4-13(15-14)12-7-9-17-10-12/h3-7,9-10H,8H2,1-2H3
InChIKeyGNUZJDNQOYJQJM-UHFFFAOYSA-N
MW245.35 g/mol
LogP4.16
Rot. Bonds4

About 2-(3-methylbut-2-enoxy)-6-thiophen-3-ylpyridine

2-(3-methylbut-2-enoxy)-6-thiophen-3-ylpyridine (PubChem CID 4554392) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-(3-methylbut-2-enoxy)-6-thiophen-3-ylpyridine.

Molecular Properties

Compound Name2-(3-methylbut-2-enoxy)-6-thiophen-3-ylpyridine
PubChem CID4554392
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name2-(3-methylbut-2-enoxy)-6-thiophen-3-ylpyridine
SMILESCC(C)=CCOc1cccc(-c2ccsc2)n1
InChIInChI=1S/C14H15NOS/c1-11(2)6-8-16-14-5-3-4-13(15-14)12-7-9-17-10-12/h3-7,9-10H,8H2,1-2H3
InChIKeyGNUZJDNQOYJQJM-UHFFFAOYSA-N
XLogP4.16
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
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 2-(3-methylbut-2-enoxy)-6-thiophen-3-ylpyridine?
The IUPAC name of 2-(3-methylbut-2-enoxy)-6-thiophen-3-ylpyridine (CID 4554392) is 2-(3-methylbut-2-enoxy)-6-thiophen-3-ylpyridine.
What is the SMILES notation for 2-(3-methylbut-2-enoxy)-6-thiophen-3-ylpyridine?
The canonical SMILES for 2-(3-methylbut-2-enoxy)-6-thiophen-3-ylpyridine is CC(C)=CCOc1cccc(-c2ccsc2)n1.
What is the InChIKey of 2-(3-methylbut-2-enoxy)-6-thiophen-3-ylpyridine?
The InChIKey is GNUZJDNQOYJQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-11(2)6-8-16-14-5-3-4-13(15-14)12-7-9-17-10-12/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 2-(3-methylbut-2-enoxy)-6-thiophen-3-ylpyridine?
2-(3-methylbut-2-enoxy)-6-thiophen-3-ylpyridine has a molecular weight of 245.35 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-2-enoxy)-6-thiophen-3-ylpyridine is sourced from PubChem (CID 4554392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).