1-(1-benzothiophen-2-yl)pyrrolidine

C12H13NS — CID 12955029

IUPAC1-(1-benzothiophen-2-yl)pyrrolidine
SMILESc1ccc2sc(N3CCCC3)cc2c1
InChIInChI=1S/C12H13NS/c1-2-6-11-10(5-1)9-12(14-11)13-7-3-4-8-13/h1-2,5-6,9H,3-4,7-8H2
InChIKeyMTJPGYSOHJDUJM-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.50
Rot. Bonds1

About 1-(1-benzothiophen-2-yl)pyrrolidine

1-(1-benzothiophen-2-yl)pyrrolidine (PubChem CID 12955029) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)pyrrolidine
PubChem CID12955029
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name1-(1-benzothiophen-2-yl)pyrrolidine
SMILESc1ccc2sc(N3CCCC3)cc2c1
InChIInChI=1S/C12H13NS/c1-2-6-11-10(5-1)9-12(14-11)13-7-3-4-8-13/h1-2,5-6,9H,3-4,7-8H2
InChIKeyMTJPGYSOHJDUJM-UHFFFAOYSA-N
XLogP3.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)pyrrolidine?
The IUPAC name of 1-(1-benzothiophen-2-yl)pyrrolidine (CID 12955029) is 1-(1-benzothiophen-2-yl)pyrrolidine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)pyrrolidine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)pyrrolidine is c1ccc2sc(N3CCCC3)cc2c1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)pyrrolidine?
The InChIKey is MTJPGYSOHJDUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-2-6-11-10(5-1)9-12(14-11)13-7-3-4-8-13/h1-2,5-6,9H,3-4,7-8H2.
What are the key properties of 1-(1-benzothiophen-2-yl)pyrrolidine?
1-(1-benzothiophen-2-yl)pyrrolidine has a molecular weight of 203.31 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)pyrrolidine is sourced from PubChem (CID 12955029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).