5-(3-bromothiophen-2-yl)-4,4-dimethylpyrrolidin-2-one

C10H12BrNOS — CID 141499775

IUPAC5-(3-bromothiophen-2-yl)-4,4-dimethylpyrrolidin-2-one
SMILESCC1(C)CC(=O)NC1c1sccc1Br
InChIInChI=1S/C10H12BrNOS/c1-10(2)5-7(13)12-9(10)8-6(11)3-4-14-8/h3-4,9H,5H2,1-2H3,(H,12,13)
InChIKeyDXDYJFXQIPNVAO-UHFFFAOYSA-N
MW274.18 g/mol
LogP3.10
Rot. Bonds1

About 5-(3-bromothiophen-2-yl)-4,4-dimethylpyrrolidin-2-one

5-(3-bromothiophen-2-yl)-4,4-dimethylpyrrolidin-2-one (PubChem CID 141499775) has the molecular formula C10H12BrNOS and a molecular weight of 274.18 g/mol. Its IUPAC name is 5-(3-bromothiophen-2-yl)-4,4-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(3-bromothiophen-2-yl)-4,4-dimethylpyrrolidin-2-one
PubChem CID141499775
Molecular FormulaC10H12BrNOS
Molecular Weight274.18 g/mol
Exact Mass272.98
IUPAC Name5-(3-bromothiophen-2-yl)-4,4-dimethylpyrrolidin-2-one
SMILESCC1(C)CC(=O)NC1c1sccc1Br
InChIInChI=1S/C10H12BrNOS/c1-10(2)5-7(13)12-9(10)8-6(11)3-4-14-8/h3-4,9H,5H2,1-2H3,(H,12,13)
InChIKeyDXDYJFXQIPNVAO-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromothiophen-2-yl)-4,4-dimethylpyrrolidin-2-one?
The IUPAC name of 5-(3-bromothiophen-2-yl)-4,4-dimethylpyrrolidin-2-one (CID 141499775) is 5-(3-bromothiophen-2-yl)-4,4-dimethylpyrrolidin-2-one.
What is the SMILES notation for 5-(3-bromothiophen-2-yl)-4,4-dimethylpyrrolidin-2-one?
The canonical SMILES for 5-(3-bromothiophen-2-yl)-4,4-dimethylpyrrolidin-2-one is CC1(C)CC(=O)NC1c1sccc1Br.
What is the InChIKey of 5-(3-bromothiophen-2-yl)-4,4-dimethylpyrrolidin-2-one?
The InChIKey is DXDYJFXQIPNVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNOS/c1-10(2)5-7(13)12-9(10)8-6(11)3-4-14-8/h3-4,9H,5H2,1-2H3,(H,12,13).
What are the key properties of 5-(3-bromothiophen-2-yl)-4,4-dimethylpyrrolidin-2-one?
5-(3-bromothiophen-2-yl)-4,4-dimethylpyrrolidin-2-one has a molecular weight of 274.18 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromothiophen-2-yl)-4,4-dimethylpyrrolidin-2-one is sourced from PubChem (CID 141499775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).