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

C10H13NO2S — CID 61410733

IUPAC[2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCCC1CO
InChIInChI=1S/C10H13NO2S/c12-6-9-2-1-4-11(9)10(13)8-3-5-14-7-8/h3,5,7,9,12H,1-2,4,6H2
InChIKeyNZJRSEAGTOQBQG-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.35
Rot. Bonds2

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

[2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 61410733) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is [2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
PubChem CID61410733
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name[2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCCC1CO
InChIInChI=1S/C10H13NO2S/c12-6-9-2-1-4-11(9)10(13)8-3-5-14-7-8/h3,5,7,9,12H,1-2,4,6H2
InChIKeyNZJRSEAGTOQBQG-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone (CID 61410733) is [2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCCC1CO.
What is the InChIKey of [2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is NZJRSEAGTOQBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-6-9-2-1-4-11(9)10(13)8-3-5-14-7-8/h3,5,7,9,12H,1-2,4,6H2.
What are the key properties of [2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
[2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 211.29 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 61410733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).