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

C13H19NS — CID 14548173

IUPAC7-propan-2-yl-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESC=CCN1CCc2ccsc2C1C(C)C
InChIInChI=1S/C13H19NS/c1-4-7-14-8-5-11-6-9-15-13(11)12(14)10(2)3/h4,6,9-10,12H,1,5,7-8H2,2-3H3
InChIKeyIUOZYCSUAHKCCP-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.49
Rot. Bonds3

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

7-propan-2-yl-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine (PubChem CID 14548173) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 7-propan-2-yl-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine.

Molecular Properties

Compound Name7-propan-2-yl-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
PubChem CID14548173
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name7-propan-2-yl-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESC=CCN1CCc2ccsc2C1C(C)C
InChIInChI=1S/C13H19NS/c1-4-7-14-8-5-11-6-9-15-13(11)12(14)10(2)3/h4,6,9-10,12H,1,5,7-8H2,2-3H3
InChIKeyIUOZYCSUAHKCCP-UHFFFAOYSA-N
XLogP3.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.49
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-propan-2-yl-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The IUPAC name of 7-propan-2-yl-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine (CID 14548173) is 7-propan-2-yl-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine.
What is the SMILES notation for 7-propan-2-yl-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The canonical SMILES for 7-propan-2-yl-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine is C=CCN1CCc2ccsc2C1C(C)C.
What is the InChIKey of 7-propan-2-yl-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The InChIKey is IUOZYCSUAHKCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-4-7-14-8-5-11-6-9-15-13(11)12(14)10(2)3/h4,6,9-10,12H,1,5,7-8H2,2-3H3.
What are the key properties of 7-propan-2-yl-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
7-propan-2-yl-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine has a molecular weight of 221.37 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-6-prop-2-enyl-5,7-dihydro-4H-thieno[2,3-c]pyridine is sourced from PubChem (CID 14548173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).