1-(5-bromothiophen-2-yl)-3-hydroxypyrrolidin-2-one

C8H8BrNO2S — CID 54226837

IUPAC1-(5-bromothiophen-2-yl)-3-hydroxypyrrolidin-2-one
SMILESO=C1C(O)CCN1c1ccc(Br)s1
InChIInChI=1S/C8H8BrNO2S/c9-6-1-2-7(13-6)10-4-3-5(11)8(10)12/h1-2,5,11H,3-4H2
InChIKeyQGLAIFCWQNLNNT-UHFFFAOYSA-N
MW262.13 g/mol
LogP1.61
Rot. Bonds1

About 1-(5-bromothiophen-2-yl)-3-hydroxypyrrolidin-2-one

1-(5-bromothiophen-2-yl)-3-hydroxypyrrolidin-2-one (PubChem CID 54226837) has the molecular formula C8H8BrNO2S and a molecular weight of 262.13 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-hydroxypyrrolidin-2-one
PubChem CID54226837
Molecular FormulaC8H8BrNO2S
Molecular Weight262.13 g/mol
Exact Mass260.95
IUPAC Name1-(5-bromothiophen-2-yl)-3-hydroxypyrrolidin-2-one
SMILESO=C1C(O)CCN1c1ccc(Br)s1
InChIInChI=1S/C8H8BrNO2S/c9-6-1-2-7(13-6)10-4-3-5(11)8(10)12/h1-2,5,11H,3-4H2
InChIKeyQGLAIFCWQNLNNT-UHFFFAOYSA-N
XLogP1.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.13
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-4-methylpiperidine
CID 130131999
1-(2,6-dimethylphenyl)-3-hydroxypyrrolidin-2-one
CID 117014191
2-(5-bromothiophen-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 111470100
4-(bromomethyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine
CID 80669253
4-(5-bromothiophen-2-yl)piperidine-1-carboxylic acid
CID 66867881
1-(2,5-dimethoxyphenyl)-3-hydroxypyrrolidin-2-one
CID 117014225
(3S)-3-hydroxy-1-(1H-indol-5-yl)pyrrolidin-2-one
CID 175732870
1-[(5-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-2-one
CID 130885927
5-bromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide
CID 26662526
1-(2-chlorophenyl)-3-hydroxypiperidin-2-one
CID 117014113
5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 60636372
2-(5-bromothiophen-2-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 71994874

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-hydroxypyrrolidin-2-one (CID 54226837) is 1-(5-bromothiophen-2-yl)-3-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-hydroxypyrrolidin-2-one is O=C1C(O)CCN1c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-hydroxypyrrolidin-2-one?
The InChIKey is QGLAIFCWQNLNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2S/c9-6-1-2-7(13-6)10-4-3-5(11)8(10)12/h1-2,5,11H,3-4H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-hydroxypyrrolidin-2-one?
1-(5-bromothiophen-2-yl)-3-hydroxypyrrolidin-2-one has a molecular weight of 262.13 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-3-hydroxypyrrolidin-2-one is sourced from PubChem (CID 54226837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).