1-[(5-bromothiophen-2-yl)methyl]pyrrolidine-2,5-dione

C9H8BrNO2S — CID 60771825

IUPAC1-[(5-bromothiophen-2-yl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Cc1ccc(Br)s1
InChIInChI=1S/C9H8BrNO2S/c10-7-2-1-6(14-7)5-11-8(12)3-4-9(11)13/h1-2H,3-5H2
InChIKeyIJJGQKKBHPFQAH-UHFFFAOYSA-N
MW274.14 g/mol
LogP2.16
Rot. Bonds2

About 1-[(5-bromothiophen-2-yl)methyl]pyrrolidine-2,5-dione

1-[(5-bromothiophen-2-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 60771825) has the molecular formula C9H8BrNO2S and a molecular weight of 274.14 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]pyrrolidine-2,5-dione
PubChem CID60771825
Molecular FormulaC9H8BrNO2S
Molecular Weight274.14 g/mol
Exact Mass272.95
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Cc1ccc(Br)s1
InChIInChI=1S/C9H8BrNO2S/c10-7-2-1-6(14-7)5-11-8(12)3-4-9(11)13/h1-2H,3-5H2
InChIKeyIJJGQKKBHPFQAH-UHFFFAOYSA-N
XLogP2.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.14
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[(5-bromothiophen-2-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 103979625
1-[(5-bromothiophen-2-yl)methyl]-3,3-dimethylpiperazine-2,6-dione
CID 66068846
4-[(5-bromothiophen-2-yl)methyl]-1-methylpiperazin-2-one
CID 64694976
5-[(2,5-dioxopyrrolidin-1-yl)methyl]thiophene-2-sulfonamide
CID 74892369
3-[(5-bromothiophen-2-yl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64689131
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 18267056
1-[(5-bromothiophen-2-yl)methyl]-4-methylpiperazine-2,3-dione
CID 62928953
1-[(5-bromothiophen-2-yl)methyl]pyrrolidine-3,4-diol
CID 106672227
2-[(5-bromothiophen-2-yl)methyl]-6,7-dihydro-5H-isoindol-4-one
CID 83208412
1-[(5-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-2-one
CID 130885927
3-[(5-bromothiophen-2-yl)methyl]-1H-imidazol-2-one
CID 103124095
1-[(2-chloro-1,3-thiazol-5-yl)methyl]pyrrolidine-2,5-dione
CID 79764600

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]pyrrolidine-2,5-dione (CID 60771825) is 1-[(5-bromothiophen-2-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1Cc1ccc(Br)s1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is IJJGQKKBHPFQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO2S/c10-7-2-1-6(14-7)5-11-8(12)3-4-9(11)13/h1-2H,3-5H2.
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl]pyrrolidine-2,5-dione?
1-[(5-bromothiophen-2-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 274.14 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 60771825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).