1-(3-thiophen-3-ylphenyl)pyrrolidine

C14H15NS — CID 145461347

IUPAC1-(3-thiophen-3-ylphenyl)pyrrolidine
SMILESc1cc(-c2ccsc2)cc(N2CCCC2)c1
InChIInChI=1S/C14H15NS/c1-2-8-15(7-1)14-5-3-4-12(10-14)13-6-9-16-11-13/h3-6,9-11H,1-2,7-8H2
InChIKeyCIYNPVQCBVRPRY-UHFFFAOYSA-N
MW229.35 g/mol
LogP4.02
Rot. Bonds2

About 1-(3-thiophen-3-ylphenyl)pyrrolidine

1-(3-thiophen-3-ylphenyl)pyrrolidine (PubChem CID 145461347) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is 1-(3-thiophen-3-ylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-thiophen-3-ylphenyl)pyrrolidine
PubChem CID145461347
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name1-(3-thiophen-3-ylphenyl)pyrrolidine
SMILESc1cc(-c2ccsc2)cc(N2CCCC2)c1
InChIInChI=1S/C14H15NS/c1-2-8-15(7-1)14-5-3-4-12(10-14)13-6-9-16-11-13/h3-6,9-11H,1-2,7-8H2
InChIKeyCIYNPVQCBVRPRY-UHFFFAOYSA-N
XLogP4.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-thiophen-3-ylphenyl)pyrrolidine?
The IUPAC name of 1-(3-thiophen-3-ylphenyl)pyrrolidine (CID 145461347) is 1-(3-thiophen-3-ylphenyl)pyrrolidine.
What is the SMILES notation for 1-(3-thiophen-3-ylphenyl)pyrrolidine?
The canonical SMILES for 1-(3-thiophen-3-ylphenyl)pyrrolidine is c1cc(-c2ccsc2)cc(N2CCCC2)c1.
What is the InChIKey of 1-(3-thiophen-3-ylphenyl)pyrrolidine?
The InChIKey is CIYNPVQCBVRPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c1-2-8-15(7-1)14-5-3-4-12(10-14)13-6-9-16-11-13/h3-6,9-11H,1-2,7-8H2.
What are the key properties of 1-(3-thiophen-3-ylphenyl)pyrrolidine?
1-(3-thiophen-3-ylphenyl)pyrrolidine has a molecular weight of 229.35 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-thiophen-3-ylphenyl)pyrrolidine is sourced from PubChem (CID 145461347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).