6-(2,3-dihydrothiophen-2-yl)-2,3-dihydropyridine

C9H11NS — CID 155216911

IUPAC6-(2,3-dihydrothiophen-2-yl)-2,3-dihydropyridine
SMILESC1=CC(C2CC=CS2)=NCC1
InChIInChI=1S/C9H11NS/c1-2-6-10-8(4-1)9-5-3-7-11-9/h1,3-4,7,9H,2,5-6H2
InChIKeyJJEVPOCDHVYEFN-UHFFFAOYSA-N
MW165.26 g/mol
LogP2.41
Rot. Bonds1

About 6-(2,3-dihydrothiophen-2-yl)-2,3-dihydropyridine

6-(2,3-dihydrothiophen-2-yl)-2,3-dihydropyridine (PubChem CID 155216911) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 6-(2,3-dihydrothiophen-2-yl)-2,3-dihydropyridine.

Molecular Properties

Compound Name6-(2,3-dihydrothiophen-2-yl)-2,3-dihydropyridine
PubChem CID155216911
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name6-(2,3-dihydrothiophen-2-yl)-2,3-dihydropyridine
SMILESC1=CC(C2CC=CS2)=NCC1
InChIInChI=1S/C9H11NS/c1-2-6-10-8(4-1)9-5-3-7-11-9/h1,3-4,7,9H,2,5-6H2
InChIKeyJJEVPOCDHVYEFN-UHFFFAOYSA-N
XLogP2.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydrothiophen-2-yl)-2,3-dihydropyridine?
The IUPAC name of 6-(2,3-dihydrothiophen-2-yl)-2,3-dihydropyridine (CID 155216911) is 6-(2,3-dihydrothiophen-2-yl)-2,3-dihydropyridine.
What is the SMILES notation for 6-(2,3-dihydrothiophen-2-yl)-2,3-dihydropyridine?
The canonical SMILES for 6-(2,3-dihydrothiophen-2-yl)-2,3-dihydropyridine is C1=CC(C2CC=CS2)=NCC1.
What is the InChIKey of 6-(2,3-dihydrothiophen-2-yl)-2,3-dihydropyridine?
The InChIKey is JJEVPOCDHVYEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-2-6-10-8(4-1)9-5-3-7-11-9/h1,3-4,7,9H,2,5-6H2.
What are the key properties of 6-(2,3-dihydrothiophen-2-yl)-2,3-dihydropyridine?
6-(2,3-dihydrothiophen-2-yl)-2,3-dihydropyridine has a molecular weight of 165.26 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydrothiophen-2-yl)-2,3-dihydropyridine is sourced from PubChem (CID 155216911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).