(3-bromothiophen-2-yl)-(3-phenylpyrrolidin-1-yl)methanone

C15H14BrNOS — CID 55211850

IUPAC(3-bromothiophen-2-yl)-(3-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1sccc1Br)N1CCC(c2ccccc2)C1
InChIInChI=1S/C15H14BrNOS/c16-13-7-9-19-14(13)15(18)17-8-6-12(10-17)11-4-2-1-3-5-11/h1-5,7,9,12H,6,8,10H2
InChIKeyHLBZUMLOOUTCDW-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.14
Rot. Bonds2

About (3-bromothiophen-2-yl)-(3-phenylpyrrolidin-1-yl)methanone

(3-bromothiophen-2-yl)-(3-phenylpyrrolidin-1-yl)methanone (PubChem CID 55211850) has the molecular formula C15H14BrNOS and a molecular weight of 336.25 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(3-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(3-phenylpyrrolidin-1-yl)methanone
PubChem CID55211850
Molecular FormulaC15H14BrNOS
Molecular Weight336.25 g/mol
Exact Mass335.00
IUPAC Name(3-bromothiophen-2-yl)-(3-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1sccc1Br)N1CCC(c2ccccc2)C1
InChIInChI=1S/C15H14BrNOS/c16-13-7-9-19-14(13)15(18)17-8-6-12(10-17)11-4-2-1-3-5-11/h1-5,7,9,12H,6,8,10H2
InChIKeyHLBZUMLOOUTCDW-UHFFFAOYSA-N
XLogP4.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(3-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-bromothiophen-2-yl)-(3-phenylpyrrolidin-1-yl)methanone (CID 55211850) is (3-bromothiophen-2-yl)-(3-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-bromothiophen-2-yl)-(3-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-bromothiophen-2-yl)-(3-phenylpyrrolidin-1-yl)methanone is O=C(c1sccc1Br)N1CCC(c2ccccc2)C1.
What is the InChIKey of (3-bromothiophen-2-yl)-(3-phenylpyrrolidin-1-yl)methanone?
The InChIKey is HLBZUMLOOUTCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNOS/c16-13-7-9-19-14(13)15(18)17-8-6-12(10-17)11-4-2-1-3-5-11/h1-5,7,9,12H,6,8,10H2.
What are the key properties of (3-bromothiophen-2-yl)-(3-phenylpyrrolidin-1-yl)methanone?
(3-bromothiophen-2-yl)-(3-phenylpyrrolidin-1-yl)methanone has a molecular weight of 336.25 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(3-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 55211850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).