(4-bromothiophen-3-yl)-cyclopropylmethanone

C8H7BrOS — CID 79595723

IUPAC(4-bromothiophen-3-yl)-cyclopropylmethanone
SMILESO=C(c1cscc1Br)C1CC1
InChIInChI=1S/C8H7BrOS/c9-7-4-11-3-6(7)8(10)5-1-2-5/h3-5H,1-2H2
InChIKeyNCTCSTBHMBIUIH-UHFFFAOYSA-N
MW231.11 g/mol
LogP3.10
Rot. Bonds2

About (4-bromothiophen-3-yl)-cyclopropylmethanone

(4-bromothiophen-3-yl)-cyclopropylmethanone (PubChem CID 79595723) has the molecular formula C8H7BrOS and a molecular weight of 231.11 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-cyclopropylmethanone.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-cyclopropylmethanone
PubChem CID79595723
Molecular FormulaC8H7BrOS
Molecular Weight231.11 g/mol
Exact Mass229.94
IUPAC Name(4-bromothiophen-3-yl)-cyclopropylmethanone
SMILESO=C(c1cscc1Br)C1CC1
InChIInChI=1S/C8H7BrOS/c9-7-4-11-3-6(7)8(10)5-1-2-5/h3-5H,1-2H2
InChIKeyNCTCSTBHMBIUIH-UHFFFAOYSA-N
XLogP3.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.11
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-bromothiophen-3-yl)-cyclopropylmethanone 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 (4-bromothiophen-3-yl)-cyclopropylmethanone?
The IUPAC name of (4-bromothiophen-3-yl)-cyclopropylmethanone (CID 79595723) is (4-bromothiophen-3-yl)-cyclopropylmethanone.
What is the SMILES notation for (4-bromothiophen-3-yl)-cyclopropylmethanone?
The canonical SMILES for (4-bromothiophen-3-yl)-cyclopropylmethanone is O=C(c1cscc1Br)C1CC1.
What is the InChIKey of (4-bromothiophen-3-yl)-cyclopropylmethanone?
The InChIKey is NCTCSTBHMBIUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrOS/c9-7-4-11-3-6(7)8(10)5-1-2-5/h3-5H,1-2H2.
What are the key properties of (4-bromothiophen-3-yl)-cyclopropylmethanone?
(4-bromothiophen-3-yl)-cyclopropylmethanone has a molecular weight of 231.11 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-cyclopropylmethanone is sourced from PubChem (CID 79595723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).