1-(6-bicyclo[3.1.0]hexanyl)-2-(5-bromothiophen-2-yl)ethanone

C12H13BrOS — CID 114967448

IUPAC1-(6-bicyclo[3.1.0]hexanyl)-2-(5-bromothiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(Br)s1)C1C2CCCC21
InChIInChI=1S/C12H13BrOS/c13-11-5-4-7(15-11)6-10(14)12-8-2-1-3-9(8)12/h4-5,8-9,12H,1-3,6H2
InChIKeyHLHAXODMUCNARR-UHFFFAOYSA-N
MW285.21 g/mol
LogP3.67
Rot. Bonds3

About 1-(6-bicyclo[3.1.0]hexanyl)-2-(5-bromothiophen-2-yl)ethanone

1-(6-bicyclo[3.1.0]hexanyl)-2-(5-bromothiophen-2-yl)ethanone (PubChem CID 114967448) has the molecular formula C12H13BrOS and a molecular weight of 285.21 g/mol. Its IUPAC name is 1-(6-bicyclo[3.1.0]hexanyl)-2-(5-bromothiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(6-bicyclo[3.1.0]hexanyl)-2-(5-bromothiophen-2-yl)ethanone
PubChem CID114967448
Molecular FormulaC12H13BrOS
Molecular Weight285.21 g/mol
Exact Mass283.99
IUPAC Name1-(6-bicyclo[3.1.0]hexanyl)-2-(5-bromothiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(Br)s1)C1C2CCCC21
InChIInChI=1S/C12H13BrOS/c13-11-5-4-7(15-11)6-10(14)12-8-2-1-3-9(8)12/h4-5,8-9,12H,1-3,6H2
InChIKeyHLHAXODMUCNARR-UHFFFAOYSA-N
XLogP3.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.21
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(6-bicyclo[3.1.0]hexanyl)-2-(5-bromothiophen-2-yl)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromothiophen-2-yl)ethanone
CID 114967361
1-[5-(aminomethyl)oxolan-2-yl]-2-(5-bromothiophen-2-yl)ethanone
CID 116589040
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(5-bromothiophen-2-yl)ethanone
CID 119634670
1-[2-(5-bromothiophen-2-yl)acetyl]piperidine-4-carboxylic acid
CID 119166508
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-bromothiophen-2-yl)ethanone
CID 119413490
1-(6-bicyclo[3.1.0]hexanyl)-2-(furan-3-yl)ethanone
CID 115795935
2-[(5-bromothiophen-2-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 103979625
N-[1-(aminomethyl)cyclopentyl]-2-(5-bromothiophen-2-yl)acetamide
CID 119568476
2-[(5-bromothiophen-2-yl)methyl-cyclopentylamino]acetic acid
CID 60834132
1-cyclobutyl-2-(5-ethylthiophen-2-yl)ethanone
CID 64982251
N-[(5-bromothiophen-2-yl)methyl]-1-cyclobutylmethanamine
CID 43298343
2-(5-bromothiophen-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)ethanone
CID 116573285

Frequently Asked Questions

What is the IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-2-(5-bromothiophen-2-yl)ethanone?
The IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-2-(5-bromothiophen-2-yl)ethanone (CID 114967448) is 1-(6-bicyclo[3.1.0]hexanyl)-2-(5-bromothiophen-2-yl)ethanone.
What is the SMILES notation for 1-(6-bicyclo[3.1.0]hexanyl)-2-(5-bromothiophen-2-yl)ethanone?
The canonical SMILES for 1-(6-bicyclo[3.1.0]hexanyl)-2-(5-bromothiophen-2-yl)ethanone is O=C(Cc1ccc(Br)s1)C1C2CCCC21.
What is the InChIKey of 1-(6-bicyclo[3.1.0]hexanyl)-2-(5-bromothiophen-2-yl)ethanone?
The InChIKey is HLHAXODMUCNARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrOS/c13-11-5-4-7(15-11)6-10(14)12-8-2-1-3-9(8)12/h4-5,8-9,12H,1-3,6H2.
What are the key properties of 1-(6-bicyclo[3.1.0]hexanyl)-2-(5-bromothiophen-2-yl)ethanone?
1-(6-bicyclo[3.1.0]hexanyl)-2-(5-bromothiophen-2-yl)ethanone has a molecular weight of 285.21 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bicyclo[3.1.0]hexanyl)-2-(5-bromothiophen-2-yl)ethanone is sourced from PubChem (CID 114967448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).