5-[2-(5-bromothiophen-2-yl)propan-2-yl]pyrrolidin-2-one

C11H14BrNOS — CID 166445406

IUPAC5-[2-(5-bromothiophen-2-yl)propan-2-yl]pyrrolidin-2-one
SMILESCC(C)(c1ccc(Br)s1)C1CCC(=O)N1
InChIInChI=1S/C11H14BrNOS/c1-11(2,7-3-6-10(14)13-7)8-4-5-9(12)15-8/h4-5,7H,3,6H2,1-2H3,(H,13,14)
InChIKeyASIFNYYEQZUZIV-UHFFFAOYSA-N
MW288.21 g/mol
LogP3.07
Rot. Bonds2

About 5-[2-(5-bromothiophen-2-yl)propan-2-yl]pyrrolidin-2-one

5-[2-(5-bromothiophen-2-yl)propan-2-yl]pyrrolidin-2-one (PubChem CID 166445406) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is 5-[2-(5-bromothiophen-2-yl)propan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[2-(5-bromothiophen-2-yl)propan-2-yl]pyrrolidin-2-one
PubChem CID166445406
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC Name5-[2-(5-bromothiophen-2-yl)propan-2-yl]pyrrolidin-2-one
SMILESCC(C)(c1ccc(Br)s1)C1CCC(=O)N1
InChIInChI=1S/C11H14BrNOS/c1-11(2,7-3-6-10(14)13-7)8-4-5-9(12)15-8/h4-5,7H,3,6H2,1-2H3,(H,13,14)
InChIKeyASIFNYYEQZUZIV-UHFFFAOYSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2R)-2-(aminomethyl)-1-(5-bromothiophen-2-yl)-N,N-diethylcyclopropane-1-carboxamide
CID 44448547
2-Pyrrolidinone, 3-methyl-5-(2-thienylmethyl)-, trans-
CID 13394147
2-Pyrrolidinone, 3-methyl-5-(2-thienylmethyl)-, cis-
CID 13394148
4-(4-Bromothiophen-2-yl)pyrrolidin-2-one
CID 131560189
(5S)-5-[(1S)-2-methyl-1-thiophen-2-ylpropyl]pyrrolidin-2-one
CID 166448430
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106048073
3-Methyl-5-(thiophen-2-ylmethyl)pyrrolidin-2-one
CID 3024921
5-(5-Bromothiophen-2-yl)pyrrolidin-2-one
CID 12056449
2-[4-(3-Bromothiophen-2-yl)-2-oxopyrrolidin-1-yl]butanamide
CID 22387015
2-[(5-bromothiophen-2-yl)methyl]-N-methyloctanamide
CID 67148163
3-[(5-bromothiophen-2-yl)methyl]-N-methyloctanamide
CID 67320548
(2S)-2-(5-bromothiophen-2-yl)-2-[(2S)-1-methylpyrrolidin-2-yl]acetamide
CID 68038392

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-bromothiophen-2-yl)propan-2-yl]pyrrolidin-2-one?
The IUPAC name of 5-[2-(5-bromothiophen-2-yl)propan-2-yl]pyrrolidin-2-one (CID 166445406) is 5-[2-(5-bromothiophen-2-yl)propan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 5-[2-(5-bromothiophen-2-yl)propan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 5-[2-(5-bromothiophen-2-yl)propan-2-yl]pyrrolidin-2-one is CC(C)(c1ccc(Br)s1)C1CCC(=O)N1.
What is the InChIKey of 5-[2-(5-bromothiophen-2-yl)propan-2-yl]pyrrolidin-2-one?
The InChIKey is ASIFNYYEQZUZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOS/c1-11(2,7-3-6-10(14)13-7)8-4-5-9(12)15-8/h4-5,7H,3,6H2,1-2H3,(H,13,14).
What are the key properties of 5-[2-(5-bromothiophen-2-yl)propan-2-yl]pyrrolidin-2-one?
5-[2-(5-bromothiophen-2-yl)propan-2-yl]pyrrolidin-2-one has a molecular weight of 288.21 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-bromothiophen-2-yl)propan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 166445406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).