(3R)-3-[(R)-hydroxy(thiophen-2-yl)methyl]pyrrolidine-2,5-dione

C9H9NO3S — CID 177393746

IUPAC(3R)-3-[(R)-hydroxy(thiophen-2-yl)methyl]pyrrolidine-2,5-dione
SMILESO=C1C[C@H]([C@@H](O)c2cccs2)C(=O)N1
InChIInChI=1S/C9H9NO3S/c11-7-4-5(9(13)10-7)8(12)6-2-1-3-14-6/h1-3,5,8,12H,4H2,(H,10,11,13)/t5-,8-/m1/s1
InChIKeyHARNTFGNSKNWCE-SVGQVSJJSA-N
MW211.24 g/mol
LogP0.44
Rot. Bonds2

About (3R)-3-[(R)-hydroxy(thiophen-2-yl)methyl]pyrrolidine-2,5-dione

(3R)-3-[(R)-hydroxy(thiophen-2-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 177393746) has the molecular formula C9H9NO3S and a molecular weight of 211.24 g/mol. Its IUPAC name is (3R)-3-[(R)-hydroxy(thiophen-2-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[(R)-hydroxy(thiophen-2-yl)methyl]pyrrolidine-2,5-dione
PubChem CID177393746
Molecular FormulaC9H9NO3S
Molecular Weight211.24 g/mol
Exact Mass211.03
IUPAC Name(3R)-3-[(R)-hydroxy(thiophen-2-yl)methyl]pyrrolidine-2,5-dione
SMILESO=C1C[C@H]([C@@H](O)c2cccs2)C(=O)N1
InChIInChI=1S/C9H9NO3S/c11-7-4-5(9(13)10-7)8(12)6-2-1-3-14-6/h1-3,5,8,12H,4H2,(H,10,11,13)/t5-,8-/m1/s1
InChIKeyHARNTFGNSKNWCE-SVGQVSJJSA-N
XLogP0.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (3R)-3-[(R)-hydroxy(thiophen-2-yl)methyl]pyrrolidine-2,5-dione with MolForge

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Related Compounds

3-thiophen-2-ylpyrrolidine-2,5-dione
CID 67512850
cyclopentyl(thiophen-2-yl)methanol
CID 43753540
2-amino-N-(2,6-dioxopiperidin-3-yl)-2-thiophen-2-ylacetamide
CID 113279315
1-ethyl-4-[hydroxy(thiophen-2-yl)methyl]pyrrolidin-2-one
CID 82175881
(S)-oxan-4-yl(thiophen-2-yl)methanol
CID 129368530
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
(3S)-3-(1,3-dioxo-1-phenylbutan-2-yl)pyrrolidine-2,5-dione
CID 71614352
3-(1-thiophen-2-ylpropan-2-ylamino)pyrrolidine-2,5-dione
CID 63291448
6-[hydroxy(thiophen-2-yl)methyl]cyclohex-3-ene-1-carboxylic acid
CID 43120546
[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-thiophen-2-ylmethanol
CID 68902963
oxolan-2-yl(thiophen-2-yl)methanol
CID 61087499
(3-methylcyclopentyl)-thiophen-2-ylmethanol
CID 65401338

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(R)-hydroxy(thiophen-2-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[(R)-hydroxy(thiophen-2-yl)methyl]pyrrolidine-2,5-dione (CID 177393746) is (3R)-3-[(R)-hydroxy(thiophen-2-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[(R)-hydroxy(thiophen-2-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[(R)-hydroxy(thiophen-2-yl)methyl]pyrrolidine-2,5-dione is O=C1C[C@H]([C@@H](O)c2cccs2)C(=O)N1.
What is the InChIKey of (3R)-3-[(R)-hydroxy(thiophen-2-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is HARNTFGNSKNWCE-SVGQVSJJSA-N. The full InChI is InChI=1S/C9H9NO3S/c11-7-4-5(9(13)10-7)8(12)6-2-1-3-14-6/h1-3,5,8,12H,4H2,(H,10,11,13)/t5-,8-/m1/s1.
What are the key properties of (3R)-3-[(R)-hydroxy(thiophen-2-yl)methyl]pyrrolidine-2,5-dione?
(3R)-3-[(R)-hydroxy(thiophen-2-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 211.24 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(R)-hydroxy(thiophen-2-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 177393746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).