5-(1-phenylbut-3-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

C17H19NS — CID 132530725

IUPAC5-(1-phenylbut-3-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESC=CCC(c1ccccc1)N1CCc2sccc2C1
InChIInChI=1S/C17H19NS/c1-2-6-16(14-7-4-3-5-8-14)18-11-9-17-15(13-18)10-12-19-17/h2-5,7-8,10,12,16H,1,6,9,11,13H2
InChIKeyHEFIQASLMRRCDT-UHFFFAOYSA-N
MW269.41 g/mol
LogP4.42
Rot. Bonds4

About 5-(1-phenylbut-3-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-(1-phenylbut-3-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 132530725) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is 5-(1-phenylbut-3-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(1-phenylbut-3-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID132530725
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC Name5-(1-phenylbut-3-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESC=CCC(c1ccccc1)N1CCc2sccc2C1
InChIInChI=1S/C17H19NS/c1-2-6-16(14-7-4-3-5-8-14)18-11-9-17-15(13-18)10-12-19-17/h2-5,7-8,10,12,16H,1,6,9,11,13H2
InChIKeyHEFIQASLMRRCDT-UHFFFAOYSA-N
XLogP4.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-(1-phenylbut-3-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(1-phenylbut-3-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 132530725) is 5-(1-phenylbut-3-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(1-phenylbut-3-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(1-phenylbut-3-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is C=CCC(c1ccccc1)N1CCc2sccc2C1.
What is the InChIKey of 5-(1-phenylbut-3-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is HEFIQASLMRRCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS/c1-2-6-16(14-7-4-3-5-8-14)18-11-9-17-15(13-18)10-12-19-17/h2-5,7-8,10,12,16H,1,6,9,11,13H2.
What are the key properties of 5-(1-phenylbut-3-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(1-phenylbut-3-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 269.41 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylbut-3-enyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 132530725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).