[1-(1,3-dioxoisoindol-2-yl)-2,3-dihydro-1H-inden-2-yl] acetate

C19H15NO4 — CID 139247553

IUPAC[1-(1,3-dioxoisoindol-2-yl)-2,3-dihydro-1H-inden-2-yl] acetate
SMILESCC(=O)OC1Cc2ccccc2C1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H15NO4/c1-11(21)24-16-10-12-6-2-3-7-13(12)17(16)20-18(22)14-8-4-5-9-15(14)19(20)23/h2-9,16-17H,10H2,1H3
InChIKeyJFSMSZGPHYTYOP-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.51
Rot. Bonds2

About [1-(1,3-dioxoisoindol-2-yl)-2,3-dihydro-1H-inden-2-yl] acetate

[1-(1,3-dioxoisoindol-2-yl)-2,3-dihydro-1H-inden-2-yl] acetate (PubChem CID 139247553) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is [1-(1,3-dioxoisoindol-2-yl)-2,3-dihydro-1H-inden-2-yl] acetate.

Molecular Properties

Compound Name[1-(1,3-dioxoisoindol-2-yl)-2,3-dihydro-1H-inden-2-yl] acetate
PubChem CID139247553
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name[1-(1,3-dioxoisoindol-2-yl)-2,3-dihydro-1H-inden-2-yl] acetate
SMILESCC(=O)OC1Cc2ccccc2C1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H15NO4/c1-11(21)24-16-10-12-6-2-3-7-13(12)17(16)20-18(22)14-8-4-5-9-15(14)19(20)23/h2-9,16-17H,10H2,1H3
InChIKeyJFSMSZGPHYTYOP-UHFFFAOYSA-N
XLogP2.51
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione
CID 168865064
[(1R,2S)-1-(1,3-dioxobenzo[de]isoquinolin-2-yl)-2,3-dihydro-1H-inden-2-yl] (2S)-2-methylbutanoate
CID 71480367
2-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]isoindole-1,3-dione
CID 140931544
[(1R,2R)-1-(4-nitroimidazol-1-yl)-2,3-dihydro-1H-inden-2-yl] acetate
CID 59976143
[(2R,3R)-3-sulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl] acetate
CID 170177717
[(1S,4S)-4-(1,3-dioxoisoindol-2-yl)cyclopent-2-en-1-yl] acetate
CID 126666595
7-bicyclo[4.2.0]octa-1,3,5-trienyl acetate;carbon monoxide;chromium
CID 134872418
[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl] acetate
CID 12616569
tert-butyl carbamate;2-(2,3-dihydro-1H-inden-2-yl)isoindole-1,3-dione;ethane
CID 143006218
[(1R,9R,13S,14R)-14-acetyloxy-13-tricyclo[7.4.1.02,7]tetradeca-2,4,6-trienyl] acetate
CID 10804321
[5-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl] acetate
CID 10805336
acetyloxy-(3-acetyloxy-1,2,3,4-tetrahydronaphthalen-2-yl)mercury
CID 16683715

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-dioxoisoindol-2-yl)-2,3-dihydro-1H-inden-2-yl] acetate?
The IUPAC name of [1-(1,3-dioxoisoindol-2-yl)-2,3-dihydro-1H-inden-2-yl] acetate (CID 139247553) is [1-(1,3-dioxoisoindol-2-yl)-2,3-dihydro-1H-inden-2-yl] acetate.
What is the SMILES notation for [1-(1,3-dioxoisoindol-2-yl)-2,3-dihydro-1H-inden-2-yl] acetate?
The canonical SMILES for [1-(1,3-dioxoisoindol-2-yl)-2,3-dihydro-1H-inden-2-yl] acetate is CC(=O)OC1Cc2ccccc2C1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of [1-(1,3-dioxoisoindol-2-yl)-2,3-dihydro-1H-inden-2-yl] acetate?
The InChIKey is JFSMSZGPHYTYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c1-11(21)24-16-10-12-6-2-3-7-13(12)17(16)20-18(22)14-8-4-5-9-15(14)19(20)23/h2-9,16-17H,10H2,1H3.
What are the key properties of [1-(1,3-dioxoisoindol-2-yl)-2,3-dihydro-1H-inden-2-yl] acetate?
[1-(1,3-dioxoisoindol-2-yl)-2,3-dihydro-1H-inden-2-yl] acetate has a molecular weight of 321.33 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-dioxoisoindol-2-yl)-2,3-dihydro-1H-inden-2-yl] acetate is sourced from PubChem (CID 139247553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).