(5R)-5-(hydroxymethyl)-1-(3-thiophen-2-ylpropyl)pyrrolidin-2-one

C12H17NO2S — CID 141051932

IUPAC(5R)-5-(hydroxymethyl)-1-(3-thiophen-2-ylpropyl)pyrrolidin-2-one
SMILESO=C1CC[C@H](CO)N1CCCc1cccs1
InChIInChI=1S/C12H17NO2S/c14-9-10-5-6-12(15)13(10)7-1-3-11-4-2-8-16-11/h2,4,8,10,14H,1,3,5-7,9H2/t10-/m1/s1
InChIKeyMDUKAIHJMAZWMZ-SNVBAGLBSA-N
MW239.34 g/mol
LogP1.66
Rot. Bonds5

About (5R)-5-(hydroxymethyl)-1-(3-thiophen-2-ylpropyl)pyrrolidin-2-one

(5R)-5-(hydroxymethyl)-1-(3-thiophen-2-ylpropyl)pyrrolidin-2-one (PubChem CID 141051932) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is (5R)-5-(hydroxymethyl)-1-(3-thiophen-2-ylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(hydroxymethyl)-1-(3-thiophen-2-ylpropyl)pyrrolidin-2-one
PubChem CID141051932
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name(5R)-5-(hydroxymethyl)-1-(3-thiophen-2-ylpropyl)pyrrolidin-2-one
SMILESO=C1CC[C@H](CO)N1CCCc1cccs1
InChIInChI=1S/C12H17NO2S/c14-9-10-5-6-12(15)13(10)7-1-3-11-4-2-8-16-11/h2,4,8,10,14H,1,3,5-7,9H2/t10-/m1/s1
InChIKeyMDUKAIHJMAZWMZ-SNVBAGLBSA-N
XLogP1.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(hydroxymethyl)-1-(3-thiophen-2-ylpropyl)pyrrolidin-2-one?
The IUPAC name of (5R)-5-(hydroxymethyl)-1-(3-thiophen-2-ylpropyl)pyrrolidin-2-one (CID 141051932) is (5R)-5-(hydroxymethyl)-1-(3-thiophen-2-ylpropyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-(hydroxymethyl)-1-(3-thiophen-2-ylpropyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-5-(hydroxymethyl)-1-(3-thiophen-2-ylpropyl)pyrrolidin-2-one is O=C1CC[C@H](CO)N1CCCc1cccs1.
What is the InChIKey of (5R)-5-(hydroxymethyl)-1-(3-thiophen-2-ylpropyl)pyrrolidin-2-one?
The InChIKey is MDUKAIHJMAZWMZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17NO2S/c14-9-10-5-6-12(15)13(10)7-1-3-11-4-2-8-16-11/h2,4,8,10,14H,1,3,5-7,9H2/t10-/m1/s1.
What are the key properties of (5R)-5-(hydroxymethyl)-1-(3-thiophen-2-ylpropyl)pyrrolidin-2-one?
(5R)-5-(hydroxymethyl)-1-(3-thiophen-2-ylpropyl)pyrrolidin-2-one has a molecular weight of 239.34 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(hydroxymethyl)-1-(3-thiophen-2-ylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 141051932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).