2-(1-acetyl-2,3-dihydroindol-6-yl)isoindole-1,3-dione

C18H14N2O3 — CID 168516279

IUPAC2-(1-acetyl-2,3-dihydroindol-6-yl)isoindole-1,3-dione
SMILESCC(=O)N1CCc2ccc(N3C(=O)c4ccccc4C3=O)cc21
InChIInChI=1S/C18H14N2O3/c1-11(21)19-9-8-12-6-7-13(10-16(12)19)20-17(22)14-4-2-3-5-15(14)18(20)23/h2-7,10H,8-9H2,1H3
InChIKeyQYFNOXCJWFPUGA-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.40
Rot. Bonds1

About 2-(1-acetyl-2,3-dihydroindol-6-yl)isoindole-1,3-dione

2-(1-acetyl-2,3-dihydroindol-6-yl)isoindole-1,3-dione (PubChem CID 168516279) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-(1-acetyl-2,3-dihydroindol-6-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(1-acetyl-2,3-dihydroindol-6-yl)isoindole-1,3-dione
PubChem CID168516279
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name2-(1-acetyl-2,3-dihydroindol-6-yl)isoindole-1,3-dione
SMILESCC(=O)N1CCc2ccc(N3C(=O)c4ccccc4C3=O)cc21
InChIInChI=1S/C18H14N2O3/c1-11(21)19-9-8-12-6-7-13(10-16(12)19)20-17(22)14-4-2-3-5-15(14)18(20)23/h2-7,10H,8-9H2,1H3
InChIKeyQYFNOXCJWFPUGA-UHFFFAOYSA-N
XLogP2.40
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.40
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

2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)isoindole-1,3-dione
CID 168517307
1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550
1-(6-phenylsulfanyl-2,3-dihydroindol-1-yl)ethanone
CID 132598085
2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)isoindole-1,3-dione
CID 168517342
2-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)isoindole-1,3-dione
CID 168519479
2-(9H-fluoren-2-yl)isoindole-1,3-dione
CID 1331291
2-[4-(4-acetylpiperazin-1-yl)phenyl]isoindole-1,3-dione
CID 168518953
1-(6-isocyano-2,3-dihydroindol-1-yl)ethanone
CID 59468783
1-(1-acetyl-2,3-dihydroindol-6-yl)-4-(aminomethyl)pyrrolidin-2-one
CID 168659198
1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylic acid
CID 117364823
1-(1-acetyl-2,3-dihydroindol-6-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168716941
(E)-3-(1-acetyl-2,3-dihydroindol-6-yl)prop-2-enoic acid
CID 70687221

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetyl-2,3-dihydroindol-6-yl)isoindole-1,3-dione?
The IUPAC name of 2-(1-acetyl-2,3-dihydroindol-6-yl)isoindole-1,3-dione (CID 168516279) is 2-(1-acetyl-2,3-dihydroindol-6-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(1-acetyl-2,3-dihydroindol-6-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(1-acetyl-2,3-dihydroindol-6-yl)isoindole-1,3-dione is CC(=O)N1CCc2ccc(N3C(=O)c4ccccc4C3=O)cc21.
What is the InChIKey of 2-(1-acetyl-2,3-dihydroindol-6-yl)isoindole-1,3-dione?
The InChIKey is QYFNOXCJWFPUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-11(21)19-9-8-12-6-7-13(10-16(12)19)20-17(22)14-4-2-3-5-15(14)18(20)23/h2-7,10H,8-9H2,1H3.
What are the key properties of 2-(1-acetyl-2,3-dihydroindol-6-yl)isoindole-1,3-dione?
2-(1-acetyl-2,3-dihydroindol-6-yl)isoindole-1,3-dione has a molecular weight of 306.32 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetyl-2,3-dihydroindol-6-yl)isoindole-1,3-dione is sourced from PubChem (CID 168516279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).