1-acridin-9-ylpyrrole-2,5-dione

C17H10N2O2 — CID 3016496

IUPAC1-acridin-9-ylpyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1c2ccccc2nc2ccccc12
InChIInChI=1S/C17H10N2O2/c20-15-9-10-16(21)19(15)17-11-5-1-3-7-13(11)18-14-8-4-2-6-12(14)17/h1-10H
InChIKeyNCFIKBMPEOEIED-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.82
Rot. Bonds1

About 1-acridin-9-ylpyrrole-2,5-dione

1-acridin-9-ylpyrrole-2,5-dione (PubChem CID 3016496) has the molecular formula C17H10N2O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-acridin-9-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-acridin-9-ylpyrrole-2,5-dione
PubChem CID3016496
Molecular FormulaC17H10N2O2
Molecular Weight274.28 g/mol
Exact Mass274.07
IUPAC Name1-acridin-9-ylpyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1c2ccccc2nc2ccccc12
InChIInChI=1S/C17H10N2O2/c20-15-9-10-16(21)19(15)17-11-5-1-3-7-13(11)18-14-8-4-2-6-12(14)17/h1-10H
InChIKeyNCFIKBMPEOEIED-UHFFFAOYSA-N
XLogP2.82
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-acridin-9-ylpyrrole-2,5-dione?
The IUPAC name of 1-acridin-9-ylpyrrole-2,5-dione (CID 3016496) is 1-acridin-9-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-acridin-9-ylpyrrole-2,5-dione?
The canonical SMILES for 1-acridin-9-ylpyrrole-2,5-dione is O=C1C=CC(=O)N1c1c2ccccc2nc2ccccc12.
What is the InChIKey of 1-acridin-9-ylpyrrole-2,5-dione?
The InChIKey is NCFIKBMPEOEIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O2/c20-15-9-10-16(21)19(15)17-11-5-1-3-7-13(11)18-14-8-4-2-6-12(14)17/h1-10H.
What are the key properties of 1-acridin-9-ylpyrrole-2,5-dione?
1-acridin-9-ylpyrrole-2,5-dione has a molecular weight of 274.28 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acridin-9-ylpyrrole-2,5-dione is sourced from PubChem (CID 3016496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).