methyl 2-(2-thiophen-2-ylpyrrolidin-1-yl)acetate

C11H15NO2S — CID 51074032

IUPACmethyl 2-(2-thiophen-2-ylpyrrolidin-1-yl)acetate
SMILESCOC(=O)CN1CCCC1c1cccs1
InChIInChI=1S/C11H15NO2S/c1-14-11(13)8-12-6-2-4-9(12)10-5-3-7-15-10/h3,5,7,9H,2,4,6,8H2,1H3
InChIKeyFODZDDIUETWJOE-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.06
Rot. Bonds3

About methyl 2-(2-thiophen-2-ylpyrrolidin-1-yl)acetate

methyl 2-(2-thiophen-2-ylpyrrolidin-1-yl)acetate (PubChem CID 51074032) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is methyl 2-(2-thiophen-2-ylpyrrolidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-thiophen-2-ylpyrrolidin-1-yl)acetate
PubChem CID51074032
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Namemethyl 2-(2-thiophen-2-ylpyrrolidin-1-yl)acetate
SMILESCOC(=O)CN1CCCC1c1cccs1
InChIInChI=1S/C11H15NO2S/c1-14-11(13)8-12-6-2-4-9(12)10-5-3-7-15-10/h3,5,7,9H,2,4,6,8H2,1H3
InChIKeyFODZDDIUETWJOE-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-thiophen-2-ylpyrrolidin-1-yl)acetate?
The IUPAC name of methyl 2-(2-thiophen-2-ylpyrrolidin-1-yl)acetate (CID 51074032) is methyl 2-(2-thiophen-2-ylpyrrolidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(2-thiophen-2-ylpyrrolidin-1-yl)acetate?
The canonical SMILES for methyl 2-(2-thiophen-2-ylpyrrolidin-1-yl)acetate is COC(=O)CN1CCCC1c1cccs1.
What is the InChIKey of methyl 2-(2-thiophen-2-ylpyrrolidin-1-yl)acetate?
The InChIKey is FODZDDIUETWJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-14-11(13)8-12-6-2-4-9(12)10-5-3-7-15-10/h3,5,7,9H,2,4,6,8H2,1H3.
What are the key properties of methyl 2-(2-thiophen-2-ylpyrrolidin-1-yl)acetate?
methyl 2-(2-thiophen-2-ylpyrrolidin-1-yl)acetate has a molecular weight of 225.31 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-thiophen-2-ylpyrrolidin-1-yl)acetate is sourced from PubChem (CID 51074032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).