2-(3-bromothiophen-2-yl)-1-(cyclohexen-1-yl)ethanone

C12H13BrOS — CID 103449846

IUPAC2-(3-bromothiophen-2-yl)-1-(cyclohexen-1-yl)ethanone
SMILESO=C(Cc1sccc1Br)C1=CCCCC1
InChIInChI=1S/C12H13BrOS/c13-10-6-7-15-12(10)8-11(14)9-4-2-1-3-5-9/h4,6-7H,1-3,5,8H2
InChIKeyKAMVZWOQJZIHTP-UHFFFAOYSA-N
MW285.21 g/mol
LogP4.12
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-1-(cyclohexen-1-yl)ethanone

2-(3-bromothiophen-2-yl)-1-(cyclohexen-1-yl)ethanone (PubChem CID 103449846) has the molecular formula C12H13BrOS and a molecular weight of 285.21 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(cyclohexen-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(cyclohexen-1-yl)ethanone
PubChem CID103449846
Molecular FormulaC12H13BrOS
Molecular Weight285.21 g/mol
Exact Mass283.99
IUPAC Name2-(3-bromothiophen-2-yl)-1-(cyclohexen-1-yl)ethanone
SMILESO=C(Cc1sccc1Br)C1=CCCCC1
InChIInChI=1S/C12H13BrOS/c13-10-6-7-15-12(10)8-11(14)9-4-2-1-3-5-9/h4,6-7H,1-3,5,8H2
InChIKeyKAMVZWOQJZIHTP-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohepten-1-yl)-2-thiophen-2-ylethanone
CID 103450496
1-(2-bromothiophen-3-yl)-2-(3-bromothiophen-2-yl)ethanone
CID 164654006
2-(3-bromothiophen-2-yl)-1-(4-iodophenyl)ethanone
CID 114969798
2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethanone
CID 62622434
2-(5-bromo-2-pyridinyl)-1-(cyclohepten-1-yl)ethanone
CID 103450574
2-(4-bromo-2-fluorophenyl)-1-(cyclohepten-1-yl)ethanone
CID 103450420
2-(1-benzothiophen-3-yl)-1-(cyclohepten-1-yl)ethanone
CID 103450421
2-(3-bromothiophen-2-yl)-1-(2-chlorophenyl)ethanone
CID 62621967
2-[2-(aminomethyl)phenyl]-1-(cyclohexen-1-yl)ethanone
CID 106655576
1-(2-aminophenyl)-2-(3-bromothiophen-2-yl)ethanone
CID 64829244
1-(cyclohexen-1-yl)-2-(2-methylphenyl)ethanone
CID 62077966
2-(3-bromothiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanone
CID 105092769

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(cyclohexen-1-yl)ethanone?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(cyclohexen-1-yl)ethanone (CID 103449846) is 2-(3-bromothiophen-2-yl)-1-(cyclohexen-1-yl)ethanone.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(cyclohexen-1-yl)ethanone?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(cyclohexen-1-yl)ethanone is O=C(Cc1sccc1Br)C1=CCCCC1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(cyclohexen-1-yl)ethanone?
The InChIKey is KAMVZWOQJZIHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrOS/c13-10-6-7-15-12(10)8-11(14)9-4-2-1-3-5-9/h4,6-7H,1-3,5,8H2.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(cyclohexen-1-yl)ethanone?
2-(3-bromothiophen-2-yl)-1-(cyclohexen-1-yl)ethanone has a molecular weight of 285.21 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(cyclohexen-1-yl)ethanone is sourced from PubChem (CID 103449846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).