2-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrrolidine

C11H16ClNS — CID 71120044

IUPAC2-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCCC1c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNS/c1-8(2)13-7-3-4-9(13)10-5-6-11(12)14-10/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyIXZJDOZLJOEVCT-UHFFFAOYSA-N
MW229.78 g/mol
LogP3.95
Rot. Bonds2

About 2-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrrolidine

2-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrrolidine (PubChem CID 71120044) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrrolidine
PubChem CID71120044
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC Name2-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCCC1c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNS/c1-8(2)13-7-3-4-9(13)10-5-6-11(12)14-10/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyIXZJDOZLJOEVCT-UHFFFAOYSA-N
XLogP3.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.78
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrrolidine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrrolidine (CID 71120044) is 2-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrrolidine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrrolidine is CC(C)N1CCCC1c1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrrolidine?
The InChIKey is IXZJDOZLJOEVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c1-8(2)13-7-3-4-9(13)10-5-6-11(12)14-10/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrrolidine?
2-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrrolidine has a molecular weight of 229.78 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 71120044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).