4-[(E)-2-[5-(2-methylpropyl)thiophen-2-yl]ethenyl]pyridine

C15H17NS — CID 129068407

IUPAC4-[(E)-2-[5-(2-methylpropyl)thiophen-2-yl]ethenyl]pyridine
SMILESCC(C)Cc1ccc(/C=C/c2ccncc2)s1
InChIInChI=1S/C15H17NS/c1-12(2)11-15-6-5-14(17-15)4-3-13-7-9-16-10-8-13/h3-10,12H,11H2,1-2H3/b4-3+
InChIKeyNISPEMUBWVHEJC-ONEGZZNKSA-N
MW243.38 g/mol
LogP4.51
Rot. Bonds4

About 4-[(E)-2-[5-(2-methylpropyl)thiophen-2-yl]ethenyl]pyridine

4-[(E)-2-[5-(2-methylpropyl)thiophen-2-yl]ethenyl]pyridine (PubChem CID 129068407) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is 4-[(E)-2-[5-(2-methylpropyl)thiophen-2-yl]ethenyl]pyridine.

Molecular Properties

Compound Name4-[(E)-2-[5-(2-methylpropyl)thiophen-2-yl]ethenyl]pyridine
PubChem CID129068407
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC Name4-[(E)-2-[5-(2-methylpropyl)thiophen-2-yl]ethenyl]pyridine
SMILESCC(C)Cc1ccc(/C=C/c2ccncc2)s1
InChIInChI=1S/C15H17NS/c1-12(2)11-15-6-5-14(17-15)4-3-13-7-9-16-10-8-13/h3-10,12H,11H2,1-2H3/b4-3+
InChIKeyNISPEMUBWVHEJC-ONEGZZNKSA-N
XLogP4.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[5-(2-methylpropyl)thiophen-2-yl]ethenyl]pyridine?
The IUPAC name of 4-[(E)-2-[5-(2-methylpropyl)thiophen-2-yl]ethenyl]pyridine (CID 129068407) is 4-[(E)-2-[5-(2-methylpropyl)thiophen-2-yl]ethenyl]pyridine.
What is the SMILES notation for 4-[(E)-2-[5-(2-methylpropyl)thiophen-2-yl]ethenyl]pyridine?
The canonical SMILES for 4-[(E)-2-[5-(2-methylpropyl)thiophen-2-yl]ethenyl]pyridine is CC(C)Cc1ccc(/C=C/c2ccncc2)s1.
What is the InChIKey of 4-[(E)-2-[5-(2-methylpropyl)thiophen-2-yl]ethenyl]pyridine?
The InChIKey is NISPEMUBWVHEJC-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H17NS/c1-12(2)11-15-6-5-14(17-15)4-3-13-7-9-16-10-8-13/h3-10,12H,11H2,1-2H3/b4-3+.
What are the key properties of 4-[(E)-2-[5-(2-methylpropyl)thiophen-2-yl]ethenyl]pyridine?
4-[(E)-2-[5-(2-methylpropyl)thiophen-2-yl]ethenyl]pyridine has a molecular weight of 243.38 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[5-(2-methylpropyl)thiophen-2-yl]ethenyl]pyridine is sourced from PubChem (CID 129068407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).