5-(5-thiophen-2-ylfuran-2-yl)pyrrolidin-2-one

C12H11NO2S — CID 134185382

IUPAC5-(5-thiophen-2-ylfuran-2-yl)pyrrolidin-2-one
SMILESO=C1CCC(c2ccc(-c3cccs3)o2)N1
InChIInChI=1S/C12H11NO2S/c14-12-6-3-8(13-12)9-4-5-10(15-9)11-2-1-7-16-11/h1-2,4-5,7-8H,3,6H2,(H,13,14)
InChIKeyAYJKDTYQUFCWFX-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.96
Rot. Bonds2

About 5-(5-thiophen-2-ylfuran-2-yl)pyrrolidin-2-one

5-(5-thiophen-2-ylfuran-2-yl)pyrrolidin-2-one (PubChem CID 134185382) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 5-(5-thiophen-2-ylfuran-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(5-thiophen-2-ylfuran-2-yl)pyrrolidin-2-one
PubChem CID134185382
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name5-(5-thiophen-2-ylfuran-2-yl)pyrrolidin-2-one
SMILESO=C1CCC(c2ccc(-c3cccs3)o2)N1
InChIInChI=1S/C12H11NO2S/c14-12-6-3-8(13-12)9-4-5-10(15-9)11-2-1-7-16-11/h1-2,4-5,7-8H,3,6H2,(H,13,14)
InChIKeyAYJKDTYQUFCWFX-UHFFFAOYSA-N
XLogP2.96
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-thiophen-2-ylfuran-2-yl)pyrrolidin-2-one?
The IUPAC name of 5-(5-thiophen-2-ylfuran-2-yl)pyrrolidin-2-one (CID 134185382) is 5-(5-thiophen-2-ylfuran-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 5-(5-thiophen-2-ylfuran-2-yl)pyrrolidin-2-one?
The canonical SMILES for 5-(5-thiophen-2-ylfuran-2-yl)pyrrolidin-2-one is O=C1CCC(c2ccc(-c3cccs3)o2)N1.
What is the InChIKey of 5-(5-thiophen-2-ylfuran-2-yl)pyrrolidin-2-one?
The InChIKey is AYJKDTYQUFCWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c14-12-6-3-8(13-12)9-4-5-10(15-9)11-2-1-7-16-11/h1-2,4-5,7-8H,3,6H2,(H,13,14).
What are the key properties of 5-(5-thiophen-2-ylfuran-2-yl)pyrrolidin-2-one?
5-(5-thiophen-2-ylfuran-2-yl)pyrrolidin-2-one has a molecular weight of 233.29 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-thiophen-2-ylfuran-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 134185382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).