2-(3-oxo-1,2-dihydroinden-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione

C17H15NO3 — CID 22365584

IUPAC2-(3-oxo-1,2-dihydroinden-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
SMILESO=C1CCc2ccc(N3C(=O)C4=C(CCCC4)C3=O)cc21
InChIInChI=1S/C17H15NO3/c19-15-8-6-10-5-7-11(9-14(10)15)18-16(20)12-3-1-2-4-13(12)17(18)21/h5,7,9H,1-4,6,8H2
InChIKeyHYMRMHRIUKKRRF-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.56
Rot. Bonds1

About 2-(3-oxo-1,2-dihydroinden-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione

2-(3-oxo-1,2-dihydroinden-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione (PubChem CID 22365584) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(3-oxo-1,2-dihydroinden-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-oxo-1,2-dihydroinden-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
PubChem CID22365584
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-(3-oxo-1,2-dihydroinden-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
SMILESO=C1CCc2ccc(N3C(=O)C4=C(CCCC4)C3=O)cc21
InChIInChI=1S/C17H15NO3/c19-15-8-6-10-5-7-11(9-14(10)15)18-16(20)12-3-1-2-4-13(12)17(18)21/h5,7,9H,1-4,6,8H2
InChIKeyHYMRMHRIUKKRRF-UHFFFAOYSA-N
XLogP2.56
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1,2-dihydroinden-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
The IUPAC name of 2-(3-oxo-1,2-dihydroinden-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione (CID 22365584) is 2-(3-oxo-1,2-dihydroinden-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione.
What is the SMILES notation for 2-(3-oxo-1,2-dihydroinden-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
The canonical SMILES for 2-(3-oxo-1,2-dihydroinden-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione is O=C1CCc2ccc(N3C(=O)C4=C(CCCC4)C3=O)cc21.
What is the InChIKey of 2-(3-oxo-1,2-dihydroinden-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
The InChIKey is HYMRMHRIUKKRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-15-8-6-10-5-7-11(9-14(10)15)18-16(20)12-3-1-2-4-13(12)17(18)21/h5,7,9H,1-4,6,8H2.
What are the key properties of 2-(3-oxo-1,2-dihydroinden-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione?
2-(3-oxo-1,2-dihydroinden-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione has a molecular weight of 281.31 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1,2-dihydroinden-5-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione is sourced from PubChem (CID 22365584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).