2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)isoindole-1,3-dione

C19H16N2O3 — CID 168517342

IUPAC2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)isoindole-1,3-dione
SMILESCC(=O)N1c2ccc(N3C(=O)c4ccccc4C3=O)cc2CC1C
InChIInChI=1S/C19H16N2O3/c1-11-9-13-10-14(7-8-17(13)20(11)12(2)22)21-18(23)15-5-3-4-6-16(15)19(21)24/h3-8,10-11H,9H2,1-2H3
InChIKeyTUOZNYBECMZNRZ-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.78
Rot. Bonds1

About 2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)isoindole-1,3-dione

2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)isoindole-1,3-dione (PubChem CID 168517342) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)isoindole-1,3-dione
PubChem CID168517342
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)isoindole-1,3-dione
SMILESCC(=O)N1c2ccc(N3C(=O)c4ccccc4C3=O)cc2CC1C
InChIInChI=1S/C19H16N2O3/c1-11-9-13-10-14(7-8-17(13)20(11)12(2)22)21-18(23)15-5-3-4-6-16(15)19(21)24/h3-8,10-11H,9H2,1-2H3
InChIKeyTUOZNYBECMZNRZ-UHFFFAOYSA-N
XLogP2.78
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethyl-2,3-dihydroindol-1-yl)ethanone
CID 170151207
2-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)isoindole-1,3-dione
CID 168519479
2-(1-acetyl-2,3-dihydroindol-6-yl)isoindole-1,3-dione
CID 168516279
(1-acetyl-2-methyl-2,3-dihydroindol-5-yl) propanoate
CID 22633597
(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 41098800
2-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione
CID 17403440
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 4804288
2-(9H-fluoren-2-yl)isoindole-1,3-dione
CID 1331291
1-acetyl-2-methyl-N-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
CID 15991770
2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]acetic acid
CID 92863762
2-[4-(4-acetylpiperazin-1-yl)phenyl]isoindole-1,3-dione
CID 168518953
1-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 20909681

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)isoindole-1,3-dione?
The IUPAC name of 2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)isoindole-1,3-dione (CID 168517342) is 2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)isoindole-1,3-dione is CC(=O)N1c2ccc(N3C(=O)c4ccccc4C3=O)cc2CC1C.
What is the InChIKey of 2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)isoindole-1,3-dione?
The InChIKey is TUOZNYBECMZNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-11-9-13-10-14(7-8-17(13)20(11)12(2)22)21-18(23)15-5-3-4-6-16(15)19(21)24/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)isoindole-1,3-dione?
2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)isoindole-1,3-dione has a molecular weight of 320.35 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)isoindole-1,3-dione is sourced from PubChem (CID 168517342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).