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

C13H13NO2 — CID 82113669

IUPAC3-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2ccc3c(c2)CCC3)C(=O)N1
InChIInChI=1S/C13H13NO2/c15-12-7-11(13(16)14-12)10-5-4-8-2-1-3-9(8)6-10/h4-6,11H,1-3,7H2,(H,14,15,16)
InChIKeyCCODDVHFNHFXDP-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.31
Rot. Bonds1

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

3-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione (PubChem CID 82113669) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione
PubChem CID82113669
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name3-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2ccc3c(c2)CCC3)C(=O)N1
InChIInChI=1S/C13H13NO2/c15-12-7-11(13(16)14-12)10-5-4-8-2-1-3-9(8)6-10/h4-6,11H,1-3,7H2,(H,14,15,16)
InChIKeyCCODDVHFNHFXDP-UHFFFAOYSA-N
XLogP1.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione (CID 82113669) is 3-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione is O=C1CC(c2ccc3c(c2)CCC3)C(=O)N1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione?
The InChIKey is CCODDVHFNHFXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-12-7-11(13(16)14-12)10-5-4-8-2-1-3-9(8)6-10/h4-6,11H,1-3,7H2,(H,14,15,16).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione?
3-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione has a molecular weight of 215.25 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 82113669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).