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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Related Compounds

2-thiophen-2-yl-5-(5-thiophen-2-ylfuran-2-yl)furan
CID 102347671
N-methyl-N-(2-oxopyrrolidin-3-yl)-5-thiophen-2-ylfuran-2-carboxamide
CID 154852840
5-(5-thiophen-2-ylfuran-2-yl)thiophene-2-carbaldehyde
CID 817927
N-[(5-thiophen-2-ylfuran-2-yl)methyl]cyclopentanecarboxamide
CID 122264205
2-(5-bromothiophen-2-yl)-5-thiophen-2-ylfuran
CID 10781309
methyl 3-(5-thiophen-2-ylfuran-2-yl)prop-2-enoate
CID 75608706
2-cyclopropyl-5-thiophen-2-yl-1,3-oxazole
CID 142768692
5-thiophen-2-ylmorpholin-3-one
CID 126971724
N'-cyclopropyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264467
(5R,6S)-5-nitro-6-thiophen-2-ylpiperidin-2-one
CID 704705
4-amino-6-thiophen-2-ylpiperidin-2-one
CID 83818747
5-(1H-pyrrol-3-yl)pyrrolidin-2-one
CID 146014176

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).