spiro[2,3-dihydroisoquinoline-4,3'-pyrrolidine]-1,2',5'-trione

C12H10N2O3 — CID 10263233

IUPACspiro[2,3-dihydroisoquinoline-4,3'-pyrrolidine]-1,2',5'-trione
SMILESO=C1CC2(CNC(=O)c3ccccc32)C(=O)N1
InChIInChI=1S/C12H10N2O3/c15-9-5-12(11(17)14-9)6-13-10(16)7-3-1-2-4-8(7)12/h1-4H,5-6H2,(H,13,16)(H,14,15,17)
InChIKeyWQEHOVFANOLJTQ-UHFFFAOYSA-N
MW230.22 g/mol
LogP-0.29
Rot. Bonds

About spiro[2,3-dihydroisoquinoline-4,3'-pyrrolidine]-1,2',5'-trione

spiro[2,3-dihydroisoquinoline-4,3'-pyrrolidine]-1,2',5'-trione (PubChem CID 10263233) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is spiro[2,3-dihydroisoquinoline-4,3'-pyrrolidine]-1,2',5'-trione.

Molecular Properties

Compound Namespiro[2,3-dihydroisoquinoline-4,3'-pyrrolidine]-1,2',5'-trione
PubChem CID10263233
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Namespiro[2,3-dihydroisoquinoline-4,3'-pyrrolidine]-1,2',5'-trione
SMILESO=C1CC2(CNC(=O)c3ccccc32)C(=O)N1
InChIInChI=1S/C12H10N2O3/c15-9-5-12(11(17)14-9)6-13-10(16)7-3-1-2-4-8(7)12/h1-4H,5-6H2,(H,13,16)(H,14,15,17)
InChIKeyWQEHOVFANOLJTQ-UHFFFAOYSA-N
XLogP-0.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

spiro[1,3-dihydroindene-2,4'-isoquinoline]-1',3'-dione
CID 44725575
spiro[indeno[1,2-b]pyridine-5,3'-pyrrolidine]-2',5'-dione
CID 14075046
1-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
CID 113306025
(1S,3R)-1-phenylspiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
CID 15870810
spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
CID 4230334
fluorocyclopropane;spiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-1-one
CID 166106506
1'-sulfanylspiro[2,3-dihydroisoquinoline-4,4'-piperidine]-1-one
CID 143228067
(1S,3R)-1-(3,4-dichlorophenyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
CID 67568917
(2E,5'E)-2,5'-dibenzylidenespiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione
CID 24813481
spiro[2H-isoindole-3,3'-pyrrolidine]-1,2'-dione
CID 170518385
4-methyl-4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroisoquinolin-1-one
CID 22767294
(3S)-7-nitrospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
CID 164939916

Frequently Asked Questions

What is the IUPAC name of spiro[2,3-dihydroisoquinoline-4,3'-pyrrolidine]-1,2',5'-trione?
The IUPAC name of spiro[2,3-dihydroisoquinoline-4,3'-pyrrolidine]-1,2',5'-trione (CID 10263233) is spiro[2,3-dihydroisoquinoline-4,3'-pyrrolidine]-1,2',5'-trione.
What is the SMILES notation for spiro[2,3-dihydroisoquinoline-4,3'-pyrrolidine]-1,2',5'-trione?
The canonical SMILES for spiro[2,3-dihydroisoquinoline-4,3'-pyrrolidine]-1,2',5'-trione is O=C1CC2(CNC(=O)c3ccccc32)C(=O)N1.
What is the InChIKey of spiro[2,3-dihydroisoquinoline-4,3'-pyrrolidine]-1,2',5'-trione?
The InChIKey is WQEHOVFANOLJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-9-5-12(11(17)14-9)6-13-10(16)7-3-1-2-4-8(7)12/h1-4H,5-6H2,(H,13,16)(H,14,15,17).
What are the key properties of spiro[2,3-dihydroisoquinoline-4,3'-pyrrolidine]-1,2',5'-trione?
spiro[2,3-dihydroisoquinoline-4,3'-pyrrolidine]-1,2',5'-trione has a molecular weight of 230.22 g/mol, XLogP of -0.29, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,3-dihydroisoquinoline-4,3'-pyrrolidine]-1,2',5'-trione is sourced from PubChem (CID 10263233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).