2-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)isoindole-1,3-dione

C17H13NO3 — CID 168519479

IUPAC2-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc2c(c1)CC(O)C2
InChIInChI=1S/C17H13NO3/c19-13-8-10-5-6-12(7-11(10)9-13)18-16(20)14-3-1-2-4-15(14)17(18)21/h1-7,13,19H,8-9H2
InChIKeyJASLSQHEUGAPCJ-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.95
Rot. Bonds1

About 2-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)isoindole-1,3-dione

2-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)isoindole-1,3-dione (PubChem CID 168519479) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)isoindole-1,3-dione
PubChem CID168519479
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name2-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc2c(c1)CC(O)C2
InChIInChI=1S/C17H13NO3/c19-13-8-10-5-6-12(7-11(10)9-13)18-16(20)14-3-1-2-4-15(14)17(18)21/h1-7,13,19H,8-9H2
InChIKeyJASLSQHEUGAPCJ-UHFFFAOYSA-N
XLogP1.95
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
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-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)isoindole-1,3-dione?
The IUPAC name of 2-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)isoindole-1,3-dione (CID 168519479) is 2-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccc2c(c1)CC(O)C2.
What is the InChIKey of 2-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)isoindole-1,3-dione?
The InChIKey is JASLSQHEUGAPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-13-8-10-5-6-12(7-11(10)9-13)18-16(20)14-3-1-2-4-15(14)17(18)21/h1-7,13,19H,8-9H2.
What are the key properties of 2-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)isoindole-1,3-dione?
2-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)isoindole-1,3-dione has a molecular weight of 279.30 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)isoindole-1,3-dione is sourced from PubChem (CID 168519479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).