(5E)-5-(thiophen-2-ylmethylidene)-3,4-dihydro-2H-pyridine

C10H11NS — CID 162400437

IUPAC(5E)-5-(thiophen-2-ylmethylidene)-3,4-dihydro-2H-pyridine
SMILESC1=NCCC/C1=C\c1cccs1
InChIInChI=1S/C10H11NS/c1-3-9(8-11-5-1)7-10-4-2-6-12-10/h2,4,6-8H,1,3,5H2/b9-7+
InChIKeyFMIKTCMPHNPXQA-VQHVLOKHSA-N
MW177.27 g/mol
LogP3.00
Rot. Bonds1

About (5E)-5-(thiophen-2-ylmethylidene)-3,4-dihydro-2H-pyridine

(5E)-5-(thiophen-2-ylmethylidene)-3,4-dihydro-2H-pyridine (PubChem CID 162400437) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is (5E)-5-(thiophen-2-ylmethylidene)-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name(5E)-5-(thiophen-2-ylmethylidene)-3,4-dihydro-2H-pyridine
PubChem CID162400437
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name(5E)-5-(thiophen-2-ylmethylidene)-3,4-dihydro-2H-pyridine
SMILESC1=NCCC/C1=C\c1cccs1
InChIInChI=1S/C10H11NS/c1-3-9(8-11-5-1)7-10-4-2-6-12-10/h2,4,6-8H,1,3,5H2/b9-7+
InChIKeyFMIKTCMPHNPXQA-VQHVLOKHSA-N
XLogP3.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-(thiophen-2-ylmethylidene)-3,4-dihydro-2H-pyridine?
The IUPAC name of (5E)-5-(thiophen-2-ylmethylidene)-3,4-dihydro-2H-pyridine (CID 162400437) is (5E)-5-(thiophen-2-ylmethylidene)-3,4-dihydro-2H-pyridine.
What is the SMILES notation for (5E)-5-(thiophen-2-ylmethylidene)-3,4-dihydro-2H-pyridine?
The canonical SMILES for (5E)-5-(thiophen-2-ylmethylidene)-3,4-dihydro-2H-pyridine is C1=NCCC/C1=C\c1cccs1.
What is the InChIKey of (5E)-5-(thiophen-2-ylmethylidene)-3,4-dihydro-2H-pyridine?
The InChIKey is FMIKTCMPHNPXQA-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H11NS/c1-3-9(8-11-5-1)7-10-4-2-6-12-10/h2,4,6-8H,1,3,5H2/b9-7+.
What are the key properties of (5E)-5-(thiophen-2-ylmethylidene)-3,4-dihydro-2H-pyridine?
(5E)-5-(thiophen-2-ylmethylidene)-3,4-dihydro-2H-pyridine has a molecular weight of 177.27 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(thiophen-2-ylmethylidene)-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 162400437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).