3-acridin-1-ylpyrrolidine-2,5-dione

C17H12N2O2 — CID 163364573

IUPAC3-acridin-1-ylpyrrolidine-2,5-dione
SMILESO=C1CC(c2cccc3nc4ccccc4cc23)C(=O)N1
InChIInChI=1S/C17H12N2O2/c20-16-9-13(17(21)19-16)11-5-3-7-15-12(11)8-10-4-1-2-6-14(10)18-15/h1-8,13H,9H2,(H,19,20,21)
InChIKeyBYFYCEOBTWGEGI-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.52
Rot. Bonds1

About 3-acridin-1-ylpyrrolidine-2,5-dione

3-acridin-1-ylpyrrolidine-2,5-dione (PubChem CID 163364573) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-acridin-1-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-acridin-1-ylpyrrolidine-2,5-dione
PubChem CID163364573
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name3-acridin-1-ylpyrrolidine-2,5-dione
SMILESO=C1CC(c2cccc3nc4ccccc4cc23)C(=O)N1
InChIInChI=1S/C17H12N2O2/c20-16-9-13(17(21)19-16)11-5-3-7-15-12(11)8-10-4-1-2-6-14(10)18-15/h1-8,13H,9H2,(H,19,20,21)
InChIKeyBYFYCEOBTWGEGI-UHFFFAOYSA-N
XLogP2.52
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-(7-chloronaphthalen-1-yl)pyrrolidine-2,5-dione
CID 118511993
3-(7-fluoronaphthalen-1-yl)pyrrolidine-2,5-dione
CID 118512063
3-naphthalen-2-ylpyrrolidine-2,5-dione
CID 102081693
ethane;(3R)-3-phenylpyrrolidine-2,5-dione
CID 91585654
acridine
CID 21226281
3-(5-fluoro-2-methylquinolin-3-yl)piperidine-2,6-dione
CID 164563329
(4R)-1,3-dimethyl-4-naphthalen-1-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136733990
3-phenylpyrrolidine-2,5-dione;pyrrole-2,5-dione
CID 161444852
acridine;methane
CID 21324126
acridine;dihydrate
CID 172843020
acridine;argon
CID 157415582
1-methyl-4-naphthalen-1-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632523

Frequently Asked Questions

What is the IUPAC name of 3-acridin-1-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-acridin-1-ylpyrrolidine-2,5-dione (CID 163364573) is 3-acridin-1-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-acridin-1-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-acridin-1-ylpyrrolidine-2,5-dione is O=C1CC(c2cccc3nc4ccccc4cc23)C(=O)N1.
What is the InChIKey of 3-acridin-1-ylpyrrolidine-2,5-dione?
The InChIKey is BYFYCEOBTWGEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c20-16-9-13(17(21)19-16)11-5-3-7-15-12(11)8-10-4-1-2-6-14(10)18-15/h1-8,13H,9H2,(H,19,20,21).
What are the key properties of 3-acridin-1-ylpyrrolidine-2,5-dione?
3-acridin-1-ylpyrrolidine-2,5-dione has a molecular weight of 276.30 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acridin-1-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 163364573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).