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

C9H11BrN2OS — CID 106182710

IUPAC4-[(5-bromothiophen-2-yl)methylamino]pyrrolidin-2-one
SMILESO=C1CC(NCc2ccc(Br)s2)CN1
InChIInChI=1S/C9H11BrN2OS/c10-8-2-1-7(14-8)5-11-6-3-9(13)12-4-6/h1-2,6,11H,3-5H2,(H,12,13)
InChIKeyAWLZKVLZQMXYNW-UHFFFAOYSA-N
MW275.17 g/mol
LogP1.49
Rot. Bonds3

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

4-[(5-bromothiophen-2-yl)methylamino]pyrrolidin-2-one (PubChem CID 106182710) has the molecular formula C9H11BrN2OS and a molecular weight of 275.17 g/mol. Its IUPAC name is 4-[(5-bromothiophen-2-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(5-bromothiophen-2-yl)methylamino]pyrrolidin-2-one
PubChem CID106182710
Molecular FormulaC9H11BrN2OS
Molecular Weight275.17 g/mol
Exact Mass273.98
IUPAC Name4-[(5-bromothiophen-2-yl)methylamino]pyrrolidin-2-one
SMILESO=C1CC(NCc2ccc(Br)s2)CN1
InChIInChI=1S/C9H11BrN2OS/c10-8-2-1-7(14-8)5-11-6-3-9(13)12-4-6/h1-2,6,11H,3-5H2,(H,12,13)
InChIKeyAWLZKVLZQMXYNW-UHFFFAOYSA-N
XLogP1.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromothiophen-2-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of 4-[(5-bromothiophen-2-yl)methylamino]pyrrolidin-2-one (CID 106182710) is 4-[(5-bromothiophen-2-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(5-bromothiophen-2-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 4-[(5-bromothiophen-2-yl)methylamino]pyrrolidin-2-one is O=C1CC(NCc2ccc(Br)s2)CN1.
What is the InChIKey of 4-[(5-bromothiophen-2-yl)methylamino]pyrrolidin-2-one?
The InChIKey is AWLZKVLZQMXYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2OS/c10-8-2-1-7(14-8)5-11-6-3-9(13)12-4-6/h1-2,6,11H,3-5H2,(H,12,13).
What are the key properties of 4-[(5-bromothiophen-2-yl)methylamino]pyrrolidin-2-one?
4-[(5-bromothiophen-2-yl)methylamino]pyrrolidin-2-one has a molecular weight of 275.17 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromothiophen-2-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 106182710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).