1-(3-hydroxypyrrolidin-1-yl)-2-thiophen-3-ylethanone

C10H13NO2S — CID 62917249

IUPAC1-(3-hydroxypyrrolidin-1-yl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCC(O)C1
InChIInChI=1S/C10H13NO2S/c12-9-1-3-11(6-9)10(13)5-8-2-4-14-7-8/h2,4,7,9,12H,1,3,5-6H2
InChIKeyXVNSGUQGAVSDJV-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.88
Rot. Bonds2

About 1-(3-hydroxypyrrolidin-1-yl)-2-thiophen-3-ylethanone

1-(3-hydroxypyrrolidin-1-yl)-2-thiophen-3-ylethanone (PubChem CID 62917249) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-(3-hydroxypyrrolidin-1-yl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(3-hydroxypyrrolidin-1-yl)-2-thiophen-3-ylethanone
PubChem CID62917249
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name1-(3-hydroxypyrrolidin-1-yl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCC(O)C1
InChIInChI=1S/C10H13NO2S/c12-9-1-3-11(6-9)10(13)5-8-2-4-14-7-8/h2,4,7,9,12H,1,3,5-6H2
InChIKeyXVNSGUQGAVSDJV-UHFFFAOYSA-N
XLogP0.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 137648267
1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 137655034
1-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 145966010
1-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 145975442
1-[(2S)-2-methylmorpholin-4-yl]-2-(thiophen-3-yl)ethan-1-one
CID 40137163
1-(1-Oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-(thiophen-3-yl)ethanone
CID 71806922
1-[2-(Hydroxymethyl)-2-propyl-1-pyrrolidinyl]-2-(3-thienyl)-1-ethanone
CID 71830238
1-[2-(Hydroxymethyl)-2-methyl-1-pyrrolidinyl]-2-(3-thienyl)-1-ethanone
CID 71830253
1-(3-(Cyclopropylmethoxy)pyrrolidin-1-yl)-2-(thiophen-3-yl)ethanone
CID 121197565
1-(2-Methylmorpholin-4-yl)-2-thiophen-3-ylethanone
CID 42938372
(3-ethylthiophen-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66260473
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 71857986

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypyrrolidin-1-yl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(3-hydroxypyrrolidin-1-yl)-2-thiophen-3-ylethanone (CID 62917249) is 1-(3-hydroxypyrrolidin-1-yl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(3-hydroxypyrrolidin-1-yl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(3-hydroxypyrrolidin-1-yl)-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCC(O)C1.
What is the InChIKey of 1-(3-hydroxypyrrolidin-1-yl)-2-thiophen-3-ylethanone?
The InChIKey is XVNSGUQGAVSDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-9-1-3-11(6-9)10(13)5-8-2-4-14-7-8/h2,4,7,9,12H,1,3,5-6H2.
What are the key properties of 1-(3-hydroxypyrrolidin-1-yl)-2-thiophen-3-ylethanone?
1-(3-hydroxypyrrolidin-1-yl)-2-thiophen-3-ylethanone has a molecular weight of 211.29 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypyrrolidin-1-yl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 62917249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).