4-(4-bromothiophen-2-yl)pyrrolidin-2-one

C8H8BrNOS — CID 131560189

IUPAC4-(4-bromothiophen-2-yl)pyrrolidin-2-one
SMILESO=C1CC(c2cc(Br)cs2)CN1
InChIInChI=1S/C8H8BrNOS/c9-6-2-7(12-4-6)5-1-8(11)10-3-5/h2,4-5H,1,3H2,(H,10,11)
InChIKeyUSWZSKJTLCGTRW-UHFFFAOYSA-N
MW246.13 g/mol
LogP2.11
Rot. Bonds1

About 4-(4-bromothiophen-2-yl)pyrrolidin-2-one

4-(4-bromothiophen-2-yl)pyrrolidin-2-one (PubChem CID 131560189) has the molecular formula C8H8BrNOS and a molecular weight of 246.13 g/mol. Its IUPAC name is 4-(4-bromothiophen-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-bromothiophen-2-yl)pyrrolidin-2-one
PubChem CID131560189
Molecular FormulaC8H8BrNOS
Molecular Weight246.13 g/mol
Exact Mass244.95
IUPAC Name4-(4-bromothiophen-2-yl)pyrrolidin-2-one
SMILESO=C1CC(c2cc(Br)cs2)CN1
InChIInChI=1S/C8H8BrNOS/c9-6-2-7(12-4-6)5-1-8(11)10-3-5/h2,4-5H,1,3H2,(H,10,11)
InChIKeyUSWZSKJTLCGTRW-UHFFFAOYSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.13
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromothiophen-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-(4-bromothiophen-2-yl)pyrrolidin-2-one (CID 131560189) is 4-(4-bromothiophen-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-bromothiophen-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-bromothiophen-2-yl)pyrrolidin-2-one is O=C1CC(c2cc(Br)cs2)CN1.
What is the InChIKey of 4-(4-bromothiophen-2-yl)pyrrolidin-2-one?
The InChIKey is USWZSKJTLCGTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNOS/c9-6-2-7(12-4-6)5-1-8(11)10-3-5/h2,4-5H,1,3H2,(H,10,11).
What are the key properties of 4-(4-bromothiophen-2-yl)pyrrolidin-2-one?
4-(4-bromothiophen-2-yl)pyrrolidin-2-one has a molecular weight of 246.13 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromothiophen-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 131560189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).