2-(5-chlorothiophen-2-yl)pyrrolidine

C8H10ClNS — CID 4305829

IUPAC2-(5-chlorothiophen-2-yl)pyrrolidine
SMILESClc1ccc(C2CCCN2)s1
InChIInChI=1S/C8H10ClNS/c9-8-4-3-7(11-8)6-2-1-5-10-6/h3-4,6,10H,1-2,5H2
InChIKeyXMSYAIXTGCQRQX-UHFFFAOYSA-N
MW187.69 g/mol
LogP2.83
Rot. Bonds1

About 2-(5-chlorothiophen-2-yl)pyrrolidine

2-(5-chlorothiophen-2-yl)pyrrolidine (PubChem CID 4305829) has the molecular formula C8H10ClNS and a molecular weight of 187.69 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)pyrrolidine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)pyrrolidine
PubChem CID4305829
Molecular FormulaC8H10ClNS
Molecular Weight187.69 g/mol
Exact Mass187.02
IUPAC Name2-(5-chlorothiophen-2-yl)pyrrolidine
SMILESClc1ccc(C2CCCN2)s1
InChIInChI=1S/C8H10ClNS/c9-8-4-3-7(11-8)6-2-1-5-10-6/h3-4,6,10H,1-2,5H2
InChIKeyXMSYAIXTGCQRQX-UHFFFAOYSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.69
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)pyrrolidine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)pyrrolidine (CID 4305829) is 2-(5-chlorothiophen-2-yl)pyrrolidine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)pyrrolidine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)pyrrolidine is Clc1ccc(C2CCCN2)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)pyrrolidine?
The InChIKey is XMSYAIXTGCQRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNS/c9-8-4-3-7(11-8)6-2-1-5-10-6/h3-4,6,10H,1-2,5H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)pyrrolidine?
2-(5-chlorothiophen-2-yl)pyrrolidine has a molecular weight of 187.69 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)pyrrolidine is sourced from PubChem (CID 4305829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).