1'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione

C18H17N3O3 — CID 75475833

IUPAC1'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
SMILESO=C1CC2(CCc3ccccc32)C(=O)N1Cc1noc(C2CC2)n1
InChIInChI=1S/C18H17N3O3/c22-15-9-18(8-7-11-3-1-2-4-13(11)18)17(23)21(15)10-14-19-16(24-20-14)12-5-6-12/h1-4,12H,5-10H2
InChIKeyYTAXLZVSUMGYGE-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.09
Rot. Bonds3

About 1'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione

1'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione (PubChem CID 75475833) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 1'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione.

Molecular Properties

Compound Name1'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
PubChem CID75475833
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name1'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
SMILESO=C1CC2(CCc3ccccc32)C(=O)N1Cc1noc(C2CC2)n1
InChIInChI=1S/C18H17N3O3/c22-15-9-18(8-7-11-3-1-2-4-13(11)18)17(23)21(15)10-14-19-16(24-20-14)12-5-6-12/h1-4,12H,5-10H2
InChIKeyYTAXLZVSUMGYGE-UHFFFAOYSA-N
XLogP2.09
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 71932103
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-hydroxy-2-phenylethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
CID 110026793
N-cyclopentyl-N-cyclopropyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl)acetamide
CID 127795670
(3aS,7aS)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 95179461
(4S)-1'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
CID 991904
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-ethylacetamide
CID 97347932
3'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 78879020
7-chloro-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione
CID 61495325
(5S)-5-cyclopropyl-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 124734084
(5R)-5-cyclopropyl-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 124734085
N-hydroxy-1'-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide
CID 134459694

Frequently Asked Questions

What is the IUPAC name of 1'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione?
The IUPAC name of 1'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione (CID 75475833) is 1'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione.
What is the SMILES notation for 1'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione?
The canonical SMILES for 1'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione is O=C1CC2(CCc3ccccc32)C(=O)N1Cc1noc(C2CC2)n1.
What is the InChIKey of 1'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione?
The InChIKey is YTAXLZVSUMGYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-15-9-18(8-7-11-3-1-2-4-13(11)18)17(23)21(15)10-14-19-16(24-20-14)12-5-6-12/h1-4,12H,5-10H2.
What are the key properties of 1'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione?
1'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione has a molecular weight of 323.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione is sourced from PubChem (CID 75475833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).