1'-(2-hydroxy-2-phenylethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione

C20H19NO3 — CID 110026793

IUPAC1'-(2-hydroxy-2-phenylethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
SMILESO=C1CC2(CCc3ccccc32)C(=O)N1CC(O)c1ccccc1
InChIInChI=1S/C20H19NO3/c22-17(15-7-2-1-3-8-15)13-21-18(23)12-20(19(21)24)11-10-14-6-4-5-9-16(14)20/h1-9,17,22H,10-13H2
InChIKeyPDXCJCAZIUXODL-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.36
Rot. Bonds3

About 1'-(2-hydroxy-2-phenylethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione

1'-(2-hydroxy-2-phenylethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione (PubChem CID 110026793) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1'-(2-hydroxy-2-phenylethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione.

Molecular Properties

Compound Name1'-(2-hydroxy-2-phenylethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
PubChem CID110026793
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name1'-(2-hydroxy-2-phenylethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
SMILESO=C1CC2(CCc3ccccc32)C(=O)N1CC(O)c1ccccc1
InChIInChI=1S/C20H19NO3/c22-17(15-7-2-1-3-8-15)13-21-18(23)12-20(19(21)24)11-10-14-6-4-5-9-16(14)20/h1-9,17,22H,10-13H2
InChIKeyPDXCJCAZIUXODL-UHFFFAOYSA-N
XLogP2.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-3'-[(2S)-2-hydroxy-2-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 94184393
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-methylacetamide
CID 99820044
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-ethylacetamide
CID 97347932
N-cyclopentyl-N-cyclopropyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)acetamide
CID 127795670
3'-[2-(4-fluorophenyl)-2-hydroxyethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 51075560
4-(2-hydroxy-2-phenylethyl)morpholine-3,5-dione
CID 61328165
3'-[2-(3-fluorophenyl)-2-hydroxyethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 47053135
(4S)-1'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
CID 991904
1'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
CID 75475833
1'-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
CID 167892355
1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65301431
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,3-diethylpyrrolidine-2,5-dione
CID 42955368

Frequently Asked Questions

What is the IUPAC name of 1'-(2-hydroxy-2-phenylethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione?
The IUPAC name of 1'-(2-hydroxy-2-phenylethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione (CID 110026793) is 1'-(2-hydroxy-2-phenylethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione.
What is the SMILES notation for 1'-(2-hydroxy-2-phenylethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione?
The canonical SMILES for 1'-(2-hydroxy-2-phenylethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione is O=C1CC2(CCc3ccccc32)C(=O)N1CC(O)c1ccccc1.
What is the InChIKey of 1'-(2-hydroxy-2-phenylethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione?
The InChIKey is PDXCJCAZIUXODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c22-17(15-7-2-1-3-8-15)13-21-18(23)12-20(19(21)24)11-10-14-6-4-5-9-16(14)20/h1-9,17,22H,10-13H2.
What are the key properties of 1'-(2-hydroxy-2-phenylethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione?
1'-(2-hydroxy-2-phenylethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione has a molecular weight of 321.38 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-hydroxy-2-phenylethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione is sourced from PubChem (CID 110026793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).