2-[1-(5-bromothiophene-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one

C15H18BrNO2S — CID 79546011

IUPAC2-[1-(5-bromothiophene-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCN1C(=O)c1ccc(Br)s1
InChIInChI=1S/C15H18BrNO2S/c16-14-8-7-13(20-14)15(19)17-9-3-5-11(17)10-4-1-2-6-12(10)18/h7-8,10-11H,1-6,9H2
InChIKeyJZFKPVGTNLDZHS-UHFFFAOYSA-N
MW356.29 g/mol
LogP3.87
Rot. Bonds2

About 2-[1-(5-bromothiophene-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one

2-[1-(5-bromothiophene-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one (PubChem CID 79546011) has the molecular formula C15H18BrNO2S and a molecular weight of 356.29 g/mol. Its IUPAC name is 2-[1-(5-bromothiophene-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-(5-bromothiophene-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
PubChem CID79546011
Molecular FormulaC15H18BrNO2S
Molecular Weight356.29 g/mol
Exact Mass355.02
IUPAC Name2-[1-(5-bromothiophene-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCN1C(=O)c1ccc(Br)s1
InChIInChI=1S/C15H18BrNO2S/c16-14-8-7-13(20-14)15(19)17-9-3-5-11(17)10-4-1-2-6-12(10)18/h7-8,10-11H,1-6,9H2
InChIKeyJZFKPVGTNLDZHS-UHFFFAOYSA-N
XLogP3.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromothiophene-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-(5-bromothiophene-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one (CID 79546011) is 2-[1-(5-bromothiophene-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-(5-bromothiophene-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-(5-bromothiophene-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one is O=C1CCCCC1C1CCCN1C(=O)c1ccc(Br)s1.
What is the InChIKey of 2-[1-(5-bromothiophene-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
The InChIKey is JZFKPVGTNLDZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2S/c16-14-8-7-13(20-14)15(19)17-9-3-5-11(17)10-4-1-2-6-12(10)18/h7-8,10-11H,1-6,9H2.
What are the key properties of 2-[1-(5-bromothiophene-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one?
2-[1-(5-bromothiophene-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one has a molecular weight of 356.29 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromothiophene-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 79546011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).