1,10-phenanthroline-2,9-dione

C12H6N2O2 — CID 74057504

IUPAC1,10-phenanthroline-2,9-dione
SMILESO=C1C=Cc2ccc3c(c2=N1)=NC(=O)C=C3
InChIInChI=1S/C12H6N2O2/c15-9-5-3-7-1-2-8-4-6-10(16)14-12(8)11(7)13-9/h1-6H
InChIKeyLIUDFYJJOKMFET-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.03
Rot. Bonds

About 1,10-phenanthroline-2,9-dione

1,10-phenanthroline-2,9-dione (PubChem CID 74057504) has the molecular formula C12H6N2O2 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1,10-phenanthroline-2,9-dione.

Molecular Properties

Compound Name1,10-phenanthroline-2,9-dione
PubChem CID74057504
Molecular FormulaC12H6N2O2
Molecular Weight210.19 g/mol
Exact Mass210.04
IUPAC Name1,10-phenanthroline-2,9-dione
SMILESO=C1C=Cc2ccc3c(c2=N1)=NC(=O)C=C3
InChIInChI=1S/C12H6N2O2/c15-9-5-3-7-1-2-8-4-6-10(16)14-12(8)11(7)13-9/h1-6H
InChIKeyLIUDFYJJOKMFET-UHFFFAOYSA-N
XLogP0.03
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,10-phenanthroline-2,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,10-phenanthroline-2,9-dione?
The IUPAC name of 1,10-phenanthroline-2,9-dione (CID 74057504) is 1,10-phenanthroline-2,9-dione.
What is the SMILES notation for 1,10-phenanthroline-2,9-dione?
The canonical SMILES for 1,10-phenanthroline-2,9-dione is O=C1C=Cc2ccc3c(c2=N1)=NC(=O)C=C3.
What is the InChIKey of 1,10-phenanthroline-2,9-dione?
The InChIKey is LIUDFYJJOKMFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N2O2/c15-9-5-3-7-1-2-8-4-6-10(16)14-12(8)11(7)13-9/h1-6H.
What are the key properties of 1,10-phenanthroline-2,9-dione?
1,10-phenanthroline-2,9-dione has a molecular weight of 210.19 g/mol, XLogP of 0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-phenanthroline-2,9-dione is sourced from PubChem (CID 74057504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).