2-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]isoindole-1,3-dione

C16H11NO2 — CID 140931544

IUPAC2-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@@H]1Cc2ccccc21
InChIInChI=1S/C16H11NO2/c18-15-12-7-3-4-8-13(12)16(19)17(15)14-9-10-5-1-2-6-11(10)14/h1-8,14H,9H2/t14-/m1/s1
InChIKeyHJHKBAAIGFNIQO-CQSZACIVSA-N
MW249.27 g/mol
LogP2.58
Rot. Bonds1

About 2-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]isoindole-1,3-dione

2-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]isoindole-1,3-dione (PubChem CID 140931544) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]isoindole-1,3-dione
PubChem CID140931544
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name2-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@@H]1Cc2ccccc21
InChIInChI=1S/C16H11NO2/c18-15-12-7-3-4-8-13(12)16(19)17(15)14-9-10-5-1-2-6-11(10)14/h1-8,14H,9H2/t14-/m1/s1
InChIKeyHJHKBAAIGFNIQO-CQSZACIVSA-N
XLogP2.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]isoindole-1,3-dione with MolForge

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Related Compounds

(4S,7S,12bR)-7-(1,3-dioxoisoindol-2-yl)-6-oxo-2,3,4,7,8,12b-hexahydro-1H-pyrido[2,1-a][2]benzazepine-4-carboxylic acid
CID 15298913
2-[(3S,6S,11bR)-6-(1,3-dioxoisoindol-2-yl)-5-oxo-1,2,3,6,7,11b-hexahydropyrrolo[2,1-a][2]benzazepin-3-yl]-2-oxoacetic acid
CID 155180312
2-[(1R,4R)-4-(1,3-dioxoisoindol-2-yl)-3-oxo-1-phenyl-4,5-dihydro-1H-2-benzazepin-2-yl]acetic acid
CID 52937168
2-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione
CID 168865064
2-(2-oxo-3,4-dihydro-1H-naphthalen-1-yl)isoindole-1,3-dione
CID 23283664
[1-(1,3-dioxoisoindol-2-yl)-2,3-dihydro-1H-inden-2-yl] acetate
CID 139247553
(16S)-1-azahexacyclo[14.13.0.03,8.09,14.017,22.023,28]nonacosa-3,5,7,9,11,13,17,19,21,23,25,27-dodecaene
CID 11153006
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-[(3R)-2-oxopiperidin-3-yl]isoindole-1,3-dione
CID 1494048
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione
CID 2911337

Frequently Asked Questions

What is the IUPAC name of 2-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]isoindole-1,3-dione?
The IUPAC name of 2-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]isoindole-1,3-dione (CID 140931544) is 2-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1[C@@H]1Cc2ccccc21.
What is the InChIKey of 2-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]isoindole-1,3-dione?
The InChIKey is HJHKBAAIGFNIQO-CQSZACIVSA-N. The full InChI is InChI=1S/C16H11NO2/c18-15-12-7-3-4-8-13(12)16(19)17(15)14-9-10-5-1-2-6-11(10)14/h1-8,14H,9H2/t14-/m1/s1.
What are the key properties of 2-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]isoindole-1,3-dione?
2-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]isoindole-1,3-dione has a molecular weight of 249.27 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]isoindole-1,3-dione is sourced from PubChem (CID 140931544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).