5-[(4-bromothiophen-3-yl)methyl]pyrrolidin-2-one

C9H10BrNOS — CID 130525277

IUPAC5-[(4-bromothiophen-3-yl)methyl]pyrrolidin-2-one
SMILESO=C1CCC(Cc2cscc2Br)N1
InChIInChI=1S/C9H10BrNOS/c10-8-5-13-4-6(8)3-7-1-2-9(12)11-7/h4-5,7H,1-3H2,(H,11,12)
InChIKeyJODBCNAGLHQPLK-UHFFFAOYSA-N
MW260.16 g/mol
LogP2.33
Rot. Bonds2

About 5-[(4-bromothiophen-3-yl)methyl]pyrrolidin-2-one

5-[(4-bromothiophen-3-yl)methyl]pyrrolidin-2-one (PubChem CID 130525277) has the molecular formula C9H10BrNOS and a molecular weight of 260.16 g/mol. Its IUPAC name is 5-[(4-bromothiophen-3-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(4-bromothiophen-3-yl)methyl]pyrrolidin-2-one
PubChem CID130525277
Molecular FormulaC9H10BrNOS
Molecular Weight260.16 g/mol
Exact Mass258.97
IUPAC Name5-[(4-bromothiophen-3-yl)methyl]pyrrolidin-2-one
SMILESO=C1CCC(Cc2cscc2Br)N1
InChIInChI=1S/C9H10BrNOS/c10-8-5-13-4-6(8)3-7-1-2-9(12)11-7/h4-5,7H,1-3H2,(H,11,12)
InChIKeyJODBCNAGLHQPLK-UHFFFAOYSA-N
XLogP2.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-bromo-3-methylphenyl)methyl]pyrrolidin-2-one
CID 104687060
5-[(2,5-difluorophenyl)methyl]pyrrolidin-2-one
CID 104687085
5-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one
CID 104687134
(5R)-5-benzylpyrrolidin-2-one
CID 740530
5-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidin-2-one
CID 104653034
(5R)-5-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
CID 124575807
5-[(2-ethoxyphenyl)methyl]pyrrolidin-2-one
CID 104687160
(5R)-5-(sulfanylmethyl)pyrrolidin-2-one
CID 59949416
(5S)-5-(aminomethyl)pyrrolidin-2-one;hydrochloride
CID 86767658
5-[(2-methylquinolin-4-yl)methyl]pyrrolidin-2-one
CID 113441333
1-[(4-bromothiophen-3-yl)methyl]-3-methylazetidine
CID 131155618
5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]pyrrolidin-2-one
CID 113441329

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromothiophen-3-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(4-bromothiophen-3-yl)methyl]pyrrolidin-2-one (CID 130525277) is 5-[(4-bromothiophen-3-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(4-bromothiophen-3-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(4-bromothiophen-3-yl)methyl]pyrrolidin-2-one is O=C1CCC(Cc2cscc2Br)N1.
What is the InChIKey of 5-[(4-bromothiophen-3-yl)methyl]pyrrolidin-2-one?
The InChIKey is JODBCNAGLHQPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNOS/c10-8-5-13-4-6(8)3-7-1-2-9(12)11-7/h4-5,7H,1-3H2,(H,11,12).
What are the key properties of 5-[(4-bromothiophen-3-yl)methyl]pyrrolidin-2-one?
5-[(4-bromothiophen-3-yl)methyl]pyrrolidin-2-one has a molecular weight of 260.16 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromothiophen-3-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 130525277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).