7-phenyl-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine

C16H17NS — CID 14548168

IUPAC7-phenyl-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESC=CCN1CCc2ccsc2C1c1ccccc1
InChIInChI=1S/C16H17NS/c1-2-10-17-11-8-14-9-12-18-16(14)15(17)13-6-4-3-5-7-13/h2-7,9,12,15H,1,8,10-11H2
InChIKeyUBDQPOLNVONQDR-UHFFFAOYSA-N
MW255.39 g/mol
LogP3.88
Rot. Bonds3

About 7-phenyl-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine

7-phenyl-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine (PubChem CID 14548168) has the molecular formula C16H17NS and a molecular weight of 255.39 g/mol. Its IUPAC name is 7-phenyl-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine.

Molecular Properties

Compound Name7-phenyl-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
PubChem CID14548168
Molecular FormulaC16H17NS
Molecular Weight255.39 g/mol
Exact Mass255.11
IUPAC Name7-phenyl-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESC=CCN1CCc2ccsc2C1c1ccccc1
InChIInChI=1S/C16H17NS/c1-2-10-17-11-8-14-9-12-18-16(14)15(17)13-6-4-3-5-7-13/h2-7,9,12,15H,1,8,10-11H2
InChIKeyUBDQPOLNVONQDR-UHFFFAOYSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 53.88
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 7-phenyl-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The IUPAC name of 7-phenyl-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine (CID 14548168) is 7-phenyl-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine.
What is the SMILES notation for 7-phenyl-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The canonical SMILES for 7-phenyl-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine is C=CCN1CCc2ccsc2C1c1ccccc1.
What is the InChIKey of 7-phenyl-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The InChIKey is UBDQPOLNVONQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NS/c1-2-10-17-11-8-14-9-12-18-16(14)15(17)13-6-4-3-5-7-13/h2-7,9,12,15H,1,8,10-11H2.
What are the key properties of 7-phenyl-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
7-phenyl-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine has a molecular weight of 255.39 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine is sourced from PubChem (CID 14548168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).