1-(2,5-dibromothiophen-3-yl)-2-pyrrolidin-1-ylethanone

C10H11Br2NOS — CID 43227595

IUPAC1-(2,5-dibromothiophen-3-yl)-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)c1cc(Br)sc1Br
InChIInChI=1S/C10H11Br2NOS/c11-9-5-7(10(12)15-9)8(14)6-13-3-1-2-4-13/h5H,1-4,6H2
InChIKeyWAMKDRDZNLEAIQ-UHFFFAOYSA-N
MW353.08 g/mol
LogP3.55
Rot. Bonds3

About 1-(2,5-dibromothiophen-3-yl)-2-pyrrolidin-1-ylethanone

1-(2,5-dibromothiophen-3-yl)-2-pyrrolidin-1-ylethanone (PubChem CID 43227595) has the molecular formula C10H11Br2NOS and a molecular weight of 353.08 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-pyrrolidin-1-ylethanone
PubChem CID43227595
Molecular FormulaC10H11Br2NOS
Molecular Weight353.08 g/mol
Exact Mass350.89
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)c1cc(Br)sc1Br
InChIInChI=1S/C10H11Br2NOS/c11-9-5-7(10(12)15-9)8(14)6-13-3-1-2-4-13/h5H,1-4,6H2
InChIKeyWAMKDRDZNLEAIQ-UHFFFAOYSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.08
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dibromothiophen-3-yl)-2-pyrrolidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-pyrrolidin-1-ylethanone (CID 43227595) is 1-(2,5-dibromothiophen-3-yl)-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-pyrrolidin-1-ylethanone is O=C(CN1CCCC1)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-pyrrolidin-1-ylethanone?
The InChIKey is WAMKDRDZNLEAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NOS/c11-9-5-7(10(12)15-9)8(14)6-13-3-1-2-4-13/h5H,1-4,6H2.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-pyrrolidin-1-ylethanone?
1-(2,5-dibromothiophen-3-yl)-2-pyrrolidin-1-ylethanone has a molecular weight of 353.08 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 43227595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).