(5-bromofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone

C13H12BrNO2S — CID 51947990

IUPAC(5-bromofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1CCC[C@H]1c1ccsc1
InChIInChI=1S/C13H12BrNO2S/c14-12-4-3-11(17-12)13(16)15-6-1-2-10(15)9-5-7-18-8-9/h3-5,7-8,10H,1-2,6H2/t10-/m0/s1
InChIKeyPZUQQOHCPJEZNR-JTQLQIEISA-N
MW326.22 g/mol
LogP4.08
Rot. Bonds2

About (5-bromofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone

(5-bromofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone (PubChem CID 51947990) has the molecular formula C13H12BrNO2S and a molecular weight of 326.22 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
PubChem CID51947990
Molecular FormulaC13H12BrNO2S
Molecular Weight326.22 g/mol
Exact Mass324.98
IUPAC Name(5-bromofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1CCC[C@H]1c1ccsc1
InChIInChI=1S/C13H12BrNO2S/c14-12-4-3-11(17-12)13(16)15-6-1-2-10(15)9-5-7-18-8-9/h3-5,7-8,10H,1-2,6H2/t10-/m0/s1
InChIKeyPZUQQOHCPJEZNR-JTQLQIEISA-N
XLogP4.08
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 42961741
(3,5-dibromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 107980311
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
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(3-bromo-2-fluorophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 106544997
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(5-bromofuran-2-yl)methanone
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(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
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2,2-dimethyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one
CID 64591656
(5-bromofuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261684
1-(2-thiophen-3-ylpiperidin-1-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone (CID 51947990) is (5-bromofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone is O=C(c1ccc(Br)o1)N1CCC[C@H]1c1ccsc1.
What is the InChIKey of (5-bromofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The InChIKey is PZUQQOHCPJEZNR-JTQLQIEISA-N. The full InChI is InChI=1S/C13H12BrNO2S/c14-12-4-3-11(17-12)13(16)15-6-1-2-10(15)9-5-7-18-8-9/h3-5,7-8,10H,1-2,6H2/t10-/m0/s1.
What are the key properties of (5-bromofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
(5-bromofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone has a molecular weight of 326.22 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 51947990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).