3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxypyrrole-2,5-dione

C13H11NO3 — CID 70455205

IUPAC3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxypyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2ccc3c(c2)CCC3)=C1O
InChIInChI=1S/C13H11NO3/c15-11-10(12(16)14-13(11)17)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H2,14,15,16,17)
InChIKeyMOAIVXXNORVXKA-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.10
Rot. Bonds1

About 3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxypyrrole-2,5-dione

3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxypyrrole-2,5-dione (PubChem CID 70455205) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxypyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxypyrrole-2,5-dione
PubChem CID70455205
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Name3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxypyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2ccc3c(c2)CCC3)=C1O
InChIInChI=1S/C13H11NO3/c15-11-10(12(16)14-13(11)17)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H2,14,15,16,17)
InChIKeyMOAIVXXNORVXKA-UHFFFAOYSA-N
XLogP1.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
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 3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxypyrrole-2,5-dione?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxypyrrole-2,5-dione (CID 70455205) is 3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxypyrrole-2,5-dione.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxypyrrole-2,5-dione?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxypyrrole-2,5-dione is O=C1NC(=O)C(c2ccc3c(c2)CCC3)=C1O.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxypyrrole-2,5-dione?
The InChIKey is MOAIVXXNORVXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c15-11-10(12(16)14-13(11)17)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H2,14,15,16,17).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxypyrrole-2,5-dione?
3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxypyrrole-2,5-dione has a molecular weight of 229.23 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-yl)-4-hydroxypyrrole-2,5-dione is sourced from PubChem (CID 70455205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).