spiro[1,3-dihydroindene-2,4'-isoquinoline]-1',3'-dione

C17H13NO2 — CID 44725575

IUPACspiro[1,3-dihydroindene-2,4'-isoquinoline]-1',3'-dione
SMILESO=C1NC(=O)C2(Cc3ccccc3C2)c2ccccc21
InChIInChI=1S/C17H13NO2/c19-15-13-7-3-4-8-14(13)17(16(20)18-15)9-11-5-1-2-6-12(11)10-17/h1-8H,9-10H2,(H,18,19,20)
InChIKeyFGGBUEBCJMAKDB-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.99
Rot. Bonds

About spiro[1,3-dihydroindene-2,4'-isoquinoline]-1',3'-dione

spiro[1,3-dihydroindene-2,4'-isoquinoline]-1',3'-dione (PubChem CID 44725575) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is spiro[1,3-dihydroindene-2,4'-isoquinoline]-1',3'-dione.

Molecular Properties

Compound Namespiro[1,3-dihydroindene-2,4'-isoquinoline]-1',3'-dione
PubChem CID44725575
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Namespiro[1,3-dihydroindene-2,4'-isoquinoline]-1',3'-dione
SMILESO=C1NC(=O)C2(Cc3ccccc3C2)c2ccccc21
InChIInChI=1S/C17H13NO2/c19-15-13-7-3-4-8-14(13)17(16(20)18-15)9-11-5-1-2-6-12(11)10-17/h1-8H,9-10H2,(H,18,19,20)
InChIKeyFGGBUEBCJMAKDB-UHFFFAOYSA-N
XLogP1.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

spiro[2,3-dihydroisoquinoline-4,3'-pyrrolidine]-1,2',5'-trione
CID 10263233
(2E,5'E)-2,5'-dibenzylidenespiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione
CID 24813481
(4R)-1'-aminospiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-tetrone
CID 67871540
1'-aminospiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-tetrone
CID 67592363
spiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
CID 4230334
ethane;4H-isoquinoline-1,3-dione
CID 91307302
(2E,5'E)-2,5'-bis[(4-ethylphenyl)methylidene]spiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione
CID 24813629
5-aminospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
CID 59166722
5-phenylspiro[1,3-dihydroindene-2,9'-fluorene]
CID 58793089
hydron;isoindole-1,3-dione
CID 174301362
CID 158403573
CID 158403573
lithium isoindole-1,3-dione
CID 18764300

Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dihydroindene-2,4'-isoquinoline]-1',3'-dione?
The IUPAC name of spiro[1,3-dihydroindene-2,4'-isoquinoline]-1',3'-dione (CID 44725575) is spiro[1,3-dihydroindene-2,4'-isoquinoline]-1',3'-dione.
What is the SMILES notation for spiro[1,3-dihydroindene-2,4'-isoquinoline]-1',3'-dione?
The canonical SMILES for spiro[1,3-dihydroindene-2,4'-isoquinoline]-1',3'-dione is O=C1NC(=O)C2(Cc3ccccc3C2)c2ccccc21.
What is the InChIKey of spiro[1,3-dihydroindene-2,4'-isoquinoline]-1',3'-dione?
The InChIKey is FGGBUEBCJMAKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c19-15-13-7-3-4-8-14(13)17(16(20)18-15)9-11-5-1-2-6-12(11)10-17/h1-8H,9-10H2,(H,18,19,20).
What are the key properties of spiro[1,3-dihydroindene-2,4'-isoquinoline]-1',3'-dione?
spiro[1,3-dihydroindene-2,4'-isoquinoline]-1',3'-dione has a molecular weight of 263.30 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dihydroindene-2,4'-isoquinoline]-1',3'-dione is sourced from PubChem (CID 44725575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).