(4-bromothiophen-3-yl)-(2-ethylpyrrolidin-2-yl)methanone

C11H14BrNOS — CID 116608267

IUPAC(4-bromothiophen-3-yl)-(2-ethylpyrrolidin-2-yl)methanone
SMILESCCC1(C(=O)c2cscc2Br)CCCN1
InChIInChI=1S/C11H14BrNOS/c1-2-11(4-3-5-13-11)10(14)8-6-15-7-9(8)12/h6-7,13H,2-5H2,1H3
InChIKeyHGEPZOFMGBQZDZ-UHFFFAOYSA-N
MW288.21 g/mol
LogP3.23
Rot. Bonds3

About (4-bromothiophen-3-yl)-(2-ethylpyrrolidin-2-yl)methanone

(4-bromothiophen-3-yl)-(2-ethylpyrrolidin-2-yl)methanone (PubChem CID 116608267) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(2-ethylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(2-ethylpyrrolidin-2-yl)methanone
PubChem CID116608267
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC Name(4-bromothiophen-3-yl)-(2-ethylpyrrolidin-2-yl)methanone
SMILESCCC1(C(=O)c2cscc2Br)CCCN1
InChIInChI=1S/C11H14BrNOS/c1-2-11(4-3-5-13-11)10(14)8-6-15-7-9(8)12/h6-7,13H,2-5H2,1H3
InChIKeyHGEPZOFMGBQZDZ-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(2-ethylpyrrolidin-2-yl)methanone?
The IUPAC name of (4-bromothiophen-3-yl)-(2-ethylpyrrolidin-2-yl)methanone (CID 116608267) is (4-bromothiophen-3-yl)-(2-ethylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (4-bromothiophen-3-yl)-(2-ethylpyrrolidin-2-yl)methanone?
The canonical SMILES for (4-bromothiophen-3-yl)-(2-ethylpyrrolidin-2-yl)methanone is CCC1(C(=O)c2cscc2Br)CCCN1.
What is the InChIKey of (4-bromothiophen-3-yl)-(2-ethylpyrrolidin-2-yl)methanone?
The InChIKey is HGEPZOFMGBQZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOS/c1-2-11(4-3-5-13-11)10(14)8-6-15-7-9(8)12/h6-7,13H,2-5H2,1H3.
What are the key properties of (4-bromothiophen-3-yl)-(2-ethylpyrrolidin-2-yl)methanone?
(4-bromothiophen-3-yl)-(2-ethylpyrrolidin-2-yl)methanone has a molecular weight of 288.21 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(2-ethylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 116608267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).