(E)-1-(3-bromothiophen-2-yl)-3-thiophen-3-ylprop-2-en-1-one

C11H7BrOS2 — CID 6019311

IUPAC(E)-1-(3-bromothiophen-2-yl)-3-thiophen-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccsc1)c1sccc1Br
InChIInChI=1S/C11H7BrOS2/c12-9-4-6-15-11(9)10(13)2-1-8-3-5-14-7-8/h1-7H/b2-1+
InChIKeyFDYPPQNCBJTHRJ-OWOJBTEDSA-N
MW299.21 g/mol
LogP4.47
Rot. Bonds3

About (E)-1-(3-bromothiophen-2-yl)-3-thiophen-3-ylprop-2-en-1-one

(E)-1-(3-bromothiophen-2-yl)-3-thiophen-3-ylprop-2-en-1-one (PubChem CID 6019311) has the molecular formula C11H7BrOS2 and a molecular weight of 299.21 g/mol. Its IUPAC name is (E)-1-(3-bromothiophen-2-yl)-3-thiophen-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3-bromothiophen-2-yl)-3-thiophen-3-ylprop-2-en-1-one
PubChem CID6019311
Molecular FormulaC11H7BrOS2
Molecular Weight299.21 g/mol
Exact Mass297.91
IUPAC Name(E)-1-(3-bromothiophen-2-yl)-3-thiophen-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccsc1)c1sccc1Br
InChIInChI=1S/C11H7BrOS2/c12-9-4-6-15-11(9)10(13)2-1-8-3-5-14-7-8/h1-7H/b2-1+
InChIKeyFDYPPQNCBJTHRJ-OWOJBTEDSA-N
XLogP4.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Thienyl ketone
CID 69713
1,2-Bis(5-bromothiophen-2-yl)ethane-1,2-dione
CID 11280423
1,3-Di(thiophen-2-yl)prop-2-en-1-one
CID 97893
1,3-Di-2-thienyl-2-propen-1-one
CID 5463038
2-Acetyl-3-bromothiophene
CID 2764496
1,2-Bis(4-bromothiophen-2-yl)ethane-1,2-dione
CID 11245953
Sdccgsbi-0633807.P001
CID 44828491
2-Thienyl(3-thienyl)methanone
CID 248646
1-(4-Bromo-2-thienyl)ethan-1-one
CID 2735237
1-(5-Bromo-4-methylthiophen-2-yl)ethan-1-one
CID 45480353
1-(2-Thienyl)-3-(3-thienyl)prop-2-en-1-one
CID 5467683
(2E,4E)-5-(4-bromophenyl)-1-thiophen-2-ylpenta-2,4-dien-1-one
CID 177901379

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-bromothiophen-2-yl)-3-thiophen-3-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(3-bromothiophen-2-yl)-3-thiophen-3-ylprop-2-en-1-one (CID 6019311) is (E)-1-(3-bromothiophen-2-yl)-3-thiophen-3-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(3-bromothiophen-2-yl)-3-thiophen-3-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(3-bromothiophen-2-yl)-3-thiophen-3-ylprop-2-en-1-one is O=C(/C=C/c1ccsc1)c1sccc1Br.
What is the InChIKey of (E)-1-(3-bromothiophen-2-yl)-3-thiophen-3-ylprop-2-en-1-one?
The InChIKey is FDYPPQNCBJTHRJ-OWOJBTEDSA-N. The full InChI is InChI=1S/C11H7BrOS2/c12-9-4-6-15-11(9)10(13)2-1-8-3-5-14-7-8/h1-7H/b2-1+.
What are the key properties of (E)-1-(3-bromothiophen-2-yl)-3-thiophen-3-ylprop-2-en-1-one?
(E)-1-(3-bromothiophen-2-yl)-3-thiophen-3-ylprop-2-en-1-one has a molecular weight of 299.21 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-bromothiophen-2-yl)-3-thiophen-3-ylprop-2-en-1-one is sourced from PubChem (CID 6019311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).