[3-(furan-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone

C13H13NO2S — CID 110603786

IUPAC[3-(furan-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(c2ccco2)C1
InChIInChI=1S/C13H13NO2S/c15-13(12-4-2-8-17-12)14-6-5-10(9-14)11-3-1-7-16-11/h1-4,7-8,10H,5-6,9H2
InChIKeyGYVSKXFRQDAZPC-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.97
Rot. Bonds2

About [3-(furan-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone

[3-(furan-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 110603786) has the molecular formula C13H13NO2S and a molecular weight of 247.32 g/mol. Its IUPAC name is [3-(furan-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-(furan-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
PubChem CID110603786
Molecular FormulaC13H13NO2S
Molecular Weight247.32 g/mol
Exact Mass247.07
IUPAC Name[3-(furan-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(c2ccco2)C1
InChIInChI=1S/C13H13NO2S/c15-13(12-4-2-8-17-12)14-6-5-10(9-14)11-3-1-7-16-11/h1-4,7-8,10H,5-6,9H2
InChIKeyGYVSKXFRQDAZPC-UHFFFAOYSA-N
XLogP2.97
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 2908197
3-(furan-2-yl)pyrrolidine-1-carboxamide
CID 131041480
[3-(furan-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 110667356
(3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 62947421
[(3R)-3-phenylpiperidin-1-yl]-thiophen-2-ylmethanone
CID 740549
[(2R)-2-(furan-2-yl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
CID 7249262
(3-imidazo[1,2-a]pyrimidin-5-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 110110280
(3S)-3-(furan-2-yl)pyrrolidine-1-carbothioamide
CID 134368012
3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 110667360
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
[3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride
CID 119413673
[4-(4-hydroxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 47142241

Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-(furan-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone (CID 110603786) is [3-(furan-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-(furan-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-(furan-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC(c2ccco2)C1.
What is the InChIKey of [3-(furan-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is GYVSKXFRQDAZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2S/c15-13(12-4-2-8-17-12)14-6-5-10(9-14)11-3-1-7-16-11/h1-4,7-8,10H,5-6,9H2.
What are the key properties of [3-(furan-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
[3-(furan-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 247.32 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 110603786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).