(2-chlorofuran-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

C13H12ClNO2S — CID 106686175

IUPAC(2-chlorofuran-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccoc1Cl)N1CCCC1c1cccs1
InChIInChI=1S/C13H12ClNO2S/c14-12-9(5-7-17-12)13(16)15-6-1-3-10(15)11-4-2-8-18-11/h2,4-5,7-8,10H,1,3,6H2
InChIKeyIQGROBISXJOZSO-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.97
Rot. Bonds2

About (2-chlorofuran-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

(2-chlorofuran-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (PubChem CID 106686175) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
PubChem CID106686175
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC Name(2-chlorofuran-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccoc1Cl)N1CCCC1c1cccs1
InChIInChI=1S/C13H12ClNO2S/c14-12-9(5-7-17-12)13(16)15-6-1-3-10(15)11-4-2-8-18-11/h2,4-5,7-8,10H,1,3,6H2
InChIKeyIQGROBISXJOZSO-UHFFFAOYSA-N
XLogP3.97
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorofuran-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 106686355
(5-bromo-2-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 43004671
(5-chlorofuran-2-yl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30545695
(3-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 47102179
(2-amino-3-methylphenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 61115821
(5-bromo-2-iodophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 103600262
(3-chloro-1-benzothiophen-2-yl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30035571
(4-bromo-2-fluorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 43018663
1H-indol-4-yl-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 60958650
(6-methyl-3-pyridinyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 29284515
[4-(dimethylamino)phenyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30035561
(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 51548406

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-chlorofuran-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (CID 106686175) is (2-chlorofuran-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-chlorofuran-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-chlorofuran-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is O=C(c1ccoc1Cl)N1CCCC1c1cccs1.
What is the InChIKey of (2-chlorofuran-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is IQGROBISXJOZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c14-12-9(5-7-17-12)13(16)15-6-1-3-10(15)11-4-2-8-18-11/h2,4-5,7-8,10H,1,3,6H2.
What are the key properties of (2-chlorofuran-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
(2-chlorofuran-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 281.76 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 106686175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).