3-(3-chlorothiophen-2-yl)pyrrolidine

C8H10ClNS — CID 82655748

IUPAC3-(3-chlorothiophen-2-yl)pyrrolidine
SMILESClc1ccsc1C1CCNC1
InChIInChI=1S/C8H10ClNS/c9-7-2-4-11-8(7)6-1-3-10-5-6/h2,4,6,10H,1,3,5H2
InChIKeySYMIDGRIDWEWDV-UHFFFAOYSA-N
MW187.69 g/mol
LogP2.48
Rot. Bonds1

About 3-(3-chlorothiophen-2-yl)pyrrolidine

3-(3-chlorothiophen-2-yl)pyrrolidine (PubChem CID 82655748) has the molecular formula C8H10ClNS and a molecular weight of 187.69 g/mol. Its IUPAC name is 3-(3-chlorothiophen-2-yl)pyrrolidine.

Molecular Properties

Compound Name3-(3-chlorothiophen-2-yl)pyrrolidine
PubChem CID82655748
Molecular FormulaC8H10ClNS
Molecular Weight187.69 g/mol
Exact Mass187.02
IUPAC Name3-(3-chlorothiophen-2-yl)pyrrolidine
SMILESClc1ccsc1C1CCNC1
InChIInChI=1S/C8H10ClNS/c9-7-2-4-11-8(7)6-1-3-10-5-6/h2,4,6,10H,1,3,5H2
InChIKeySYMIDGRIDWEWDV-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorothiophen-2-yl)pyrrolidine?
The IUPAC name of 3-(3-chlorothiophen-2-yl)pyrrolidine (CID 82655748) is 3-(3-chlorothiophen-2-yl)pyrrolidine.
What is the SMILES notation for 3-(3-chlorothiophen-2-yl)pyrrolidine?
The canonical SMILES for 3-(3-chlorothiophen-2-yl)pyrrolidine is Clc1ccsc1C1CCNC1.
What is the InChIKey of 3-(3-chlorothiophen-2-yl)pyrrolidine?
The InChIKey is SYMIDGRIDWEWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNS/c9-7-2-4-11-8(7)6-1-3-10-5-6/h2,4,6,10H,1,3,5H2.
What are the key properties of 3-(3-chlorothiophen-2-yl)pyrrolidine?
3-(3-chlorothiophen-2-yl)pyrrolidine has a molecular weight of 187.69 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorothiophen-2-yl)pyrrolidine is sourced from PubChem (CID 82655748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).