7-phenyl-6-thiophen-2-yl-2,3-dihydro-1H-pyrrolizine

C17H15NS — CID 11129225

IUPAC7-phenyl-6-thiophen-2-yl-2,3-dihydro-1H-pyrrolizine
SMILESc1ccc(-c2c(-c3cccs3)cn3c2CCC3)cc1
InChIInChI=1S/C17H15NS/c1-2-6-13(7-3-1)17-14(16-9-5-11-19-16)12-18-10-4-8-15(17)18/h1-3,5-7,9,11-12H,4,8,10H2
InChIKeyPRFLTDYOAMOLAD-UHFFFAOYSA-N
MW265.38 g/mol
LogP4.83
Rot. Bonds2

About 7-phenyl-6-thiophen-2-yl-2,3-dihydro-1H-pyrrolizine

7-phenyl-6-thiophen-2-yl-2,3-dihydro-1H-pyrrolizine (PubChem CID 11129225) has the molecular formula C17H15NS and a molecular weight of 265.38 g/mol. Its IUPAC name is 7-phenyl-6-thiophen-2-yl-2,3-dihydro-1H-pyrrolizine.

Molecular Properties

Compound Name7-phenyl-6-thiophen-2-yl-2,3-dihydro-1H-pyrrolizine
PubChem CID11129225
Molecular FormulaC17H15NS
Molecular Weight265.38 g/mol
Exact Mass265.09
IUPAC Name7-phenyl-6-thiophen-2-yl-2,3-dihydro-1H-pyrrolizine
SMILESc1ccc(-c2c(-c3cccs3)cn3c2CCC3)cc1
InChIInChI=1S/C17H15NS/c1-2-6-13(7-3-1)17-14(16-9-5-11-19-16)12-18-10-4-8-15(17)18/h1-3,5-7,9,11-12H,4,8,10H2
InChIKeyPRFLTDYOAMOLAD-UHFFFAOYSA-N
XLogP4.83
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-6-thiophen-2-yl-2,3-dihydro-1H-pyrrolizine?
The IUPAC name of 7-phenyl-6-thiophen-2-yl-2,3-dihydro-1H-pyrrolizine (CID 11129225) is 7-phenyl-6-thiophen-2-yl-2,3-dihydro-1H-pyrrolizine.
What is the SMILES notation for 7-phenyl-6-thiophen-2-yl-2,3-dihydro-1H-pyrrolizine?
The canonical SMILES for 7-phenyl-6-thiophen-2-yl-2,3-dihydro-1H-pyrrolizine is c1ccc(-c2c(-c3cccs3)cn3c2CCC3)cc1.
What is the InChIKey of 7-phenyl-6-thiophen-2-yl-2,3-dihydro-1H-pyrrolizine?
The InChIKey is PRFLTDYOAMOLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NS/c1-2-6-13(7-3-1)17-14(16-9-5-11-19-16)12-18-10-4-8-15(17)18/h1-3,5-7,9,11-12H,4,8,10H2.
What are the key properties of 7-phenyl-6-thiophen-2-yl-2,3-dihydro-1H-pyrrolizine?
7-phenyl-6-thiophen-2-yl-2,3-dihydro-1H-pyrrolizine has a molecular weight of 265.38 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-6-thiophen-2-yl-2,3-dihydro-1H-pyrrolizine is sourced from PubChem (CID 11129225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).