4-[(E)-2-thiophen-2-ylethenyl]-2,3-dihydropyridine

C11H11NS — CID 123436408

IUPAC4-[(E)-2-thiophen-2-ylethenyl]-2,3-dihydropyridine
SMILESC1=NCCC(/C=C/c2cccs2)=C1
InChIInChI=1S/C11H11NS/c1-2-11(13-9-1)4-3-10-5-7-12-8-6-10/h1-5,7,9H,6,8H2/b4-3+
InChIKeyNRRBMHYQHHPGAF-ONEGZZNKSA-N
MW189.28 g/mol
LogP3.16
Rot. Bonds2

About 4-[(E)-2-thiophen-2-ylethenyl]-2,3-dihydropyridine

4-[(E)-2-thiophen-2-ylethenyl]-2,3-dihydropyridine (PubChem CID 123436408) has the molecular formula C11H11NS and a molecular weight of 189.28 g/mol. Its IUPAC name is 4-[(E)-2-thiophen-2-ylethenyl]-2,3-dihydropyridine.

Molecular Properties

Compound Name4-[(E)-2-thiophen-2-ylethenyl]-2,3-dihydropyridine
PubChem CID123436408
Molecular FormulaC11H11NS
Molecular Weight189.28 g/mol
Exact Mass189.06
IUPAC Name4-[(E)-2-thiophen-2-ylethenyl]-2,3-dihydropyridine
SMILESC1=NCCC(/C=C/c2cccs2)=C1
InChIInChI=1S/C11H11NS/c1-2-11(13-9-1)4-3-10-5-7-12-8-6-10/h1-5,7,9H,6,8H2/b4-3+
InChIKeyNRRBMHYQHHPGAF-ONEGZZNKSA-N
XLogP3.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-thiophen-2-ylethenyl]-2,3-dihydropyridine?
The IUPAC name of 4-[(E)-2-thiophen-2-ylethenyl]-2,3-dihydropyridine (CID 123436408) is 4-[(E)-2-thiophen-2-ylethenyl]-2,3-dihydropyridine.
What is the SMILES notation for 4-[(E)-2-thiophen-2-ylethenyl]-2,3-dihydropyridine?
The canonical SMILES for 4-[(E)-2-thiophen-2-ylethenyl]-2,3-dihydropyridine is C1=NCCC(/C=C/c2cccs2)=C1.
What is the InChIKey of 4-[(E)-2-thiophen-2-ylethenyl]-2,3-dihydropyridine?
The InChIKey is NRRBMHYQHHPGAF-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H11NS/c1-2-11(13-9-1)4-3-10-5-7-12-8-6-10/h1-5,7,9H,6,8H2/b4-3+.
What are the key properties of 4-[(E)-2-thiophen-2-ylethenyl]-2,3-dihydropyridine?
4-[(E)-2-thiophen-2-ylethenyl]-2,3-dihydropyridine has a molecular weight of 189.28 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-thiophen-2-ylethenyl]-2,3-dihydropyridine is sourced from PubChem (CID 123436408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).