5-bromo-2-(2,5-dimethylthiophen-3-yl)-3-thiophen-2-ylcyclopent-2-en-1-one

C15H13BrOS2 — CID 71484785

IUPAC5-bromo-2-(2,5-dimethylthiophen-3-yl)-3-thiophen-2-ylcyclopent-2-en-1-one
SMILESCc1cc(C2=C(c3cccs3)CC(Br)C2=O)c(C)s1
InChIInChI=1S/C15H13BrOS2/c1-8-6-10(9(2)19-8)14-11(7-12(16)15(14)17)13-4-3-5-18-13/h3-6,12H,7H2,1-2H3
InChIKeyUWHSTXGJSLJYKZ-UHFFFAOYSA-N
MW353.31 g/mol
LogP5.07
Rot. Bonds2

About 5-bromo-2-(2,5-dimethylthiophen-3-yl)-3-thiophen-2-ylcyclopent-2-en-1-one

5-bromo-2-(2,5-dimethylthiophen-3-yl)-3-thiophen-2-ylcyclopent-2-en-1-one (PubChem CID 71484785) has the molecular formula C15H13BrOS2 and a molecular weight of 353.31 g/mol. Its IUPAC name is 5-bromo-2-(2,5-dimethylthiophen-3-yl)-3-thiophen-2-ylcyclopent-2-en-1-one.

Molecular Properties

Compound Name5-bromo-2-(2,5-dimethylthiophen-3-yl)-3-thiophen-2-ylcyclopent-2-en-1-one
PubChem CID71484785
Molecular FormulaC15H13BrOS2
Molecular Weight353.31 g/mol
Exact Mass351.96
IUPAC Name5-bromo-2-(2,5-dimethylthiophen-3-yl)-3-thiophen-2-ylcyclopent-2-en-1-one
SMILESCc1cc(C2=C(c3cccs3)CC(Br)C2=O)c(C)s1
InChIInChI=1S/C15H13BrOS2/c1-8-6-10(9(2)19-8)14-11(7-12(16)15(14)17)13-4-3-5-18-13/h3-6,12H,7H2,1-2H3
InChIKeyUWHSTXGJSLJYKZ-UHFFFAOYSA-N
XLogP5.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.31
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(2,5-dimethylthiophen-3-yl)-3-naphthalen-1-ylcyclopent-2-en-1-one
CID 71484654
4,11-dimethyl-7,14-dithiophen-2-yl-5,12-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(14),2(6),3,7,9(13),10-hexaene
CID 126765639
2,3-bis(2-methyl-5-thiophen-2-ylthiophen-3-yl)naphthalene-1,4-dione
CID 101124466
2,3-bis(2,5-dimethylthiophen-3-yl)-5-phenoxycyclopent-2-en-1-one
CID 71484943
5-methyl-4-thiophen-2-ylthiophen-2-amine
CID 82399962
2-methyl-4-thiophen-2-yl-2,3-dihydroinden-1-one
CID 22173067
3,4-dithiophen-2-yl-2H-furan-5-one
CID 2398030
N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide
CID 134004531
2-(7-methyl-2-oxo-5-thiophen-2-yl-3H-thieno[2,3-e][1,4]diazepin-1-yl)acetonitrile
CID 862845
4-(2,5-dimethylthiophen-3-yl)chromen-2-one
CID 58882738
4-methyl-6-thiophen-2-ylbenzene-1,3-dicarboxylic acid
CID 150937146
(5Z)-3,4-bis(2,5-dimethylthiophen-3-yl)-5-[(4-methoxyphenyl)methylidene]furan-2-one
CID 101460676

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,5-dimethylthiophen-3-yl)-3-thiophen-2-ylcyclopent-2-en-1-one?
The IUPAC name of 5-bromo-2-(2,5-dimethylthiophen-3-yl)-3-thiophen-2-ylcyclopent-2-en-1-one (CID 71484785) is 5-bromo-2-(2,5-dimethylthiophen-3-yl)-3-thiophen-2-ylcyclopent-2-en-1-one.
What is the SMILES notation for 5-bromo-2-(2,5-dimethylthiophen-3-yl)-3-thiophen-2-ylcyclopent-2-en-1-one?
The canonical SMILES for 5-bromo-2-(2,5-dimethylthiophen-3-yl)-3-thiophen-2-ylcyclopent-2-en-1-one is Cc1cc(C2=C(c3cccs3)CC(Br)C2=O)c(C)s1.
What is the InChIKey of 5-bromo-2-(2,5-dimethylthiophen-3-yl)-3-thiophen-2-ylcyclopent-2-en-1-one?
The InChIKey is UWHSTXGJSLJYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrOS2/c1-8-6-10(9(2)19-8)14-11(7-12(16)15(14)17)13-4-3-5-18-13/h3-6,12H,7H2,1-2H3.
What are the key properties of 5-bromo-2-(2,5-dimethylthiophen-3-yl)-3-thiophen-2-ylcyclopent-2-en-1-one?
5-bromo-2-(2,5-dimethylthiophen-3-yl)-3-thiophen-2-ylcyclopent-2-en-1-one has a molecular weight of 353.31 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,5-dimethylthiophen-3-yl)-3-thiophen-2-ylcyclopent-2-en-1-one is sourced from PubChem (CID 71484785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).