9a,10-dihydroacridine-1,9-dione

C13H9NO2 — CID 22923123

IUPAC9a,10-dihydroacridine-1,9-dione
SMILESO=C1C=CC=C2Nc3ccccc3C(=O)C12
InChIInChI=1S/C13H9NO2/c15-11-7-3-6-10-12(11)13(16)8-4-1-2-5-9(8)14-10/h1-7,12,14H
InChIKeyIWAPGMXVESUAKJ-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.93
Rot. Bonds

About 9a,10-dihydroacridine-1,9-dione

9a,10-dihydroacridine-1,9-dione (PubChem CID 22923123) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 9a,10-dihydroacridine-1,9-dione.

Molecular Properties

Compound Name9a,10-dihydroacridine-1,9-dione
PubChem CID22923123
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Name9a,10-dihydroacridine-1,9-dione
SMILESO=C1C=CC=C2Nc3ccccc3C(=O)C12
InChIInChI=1S/C13H9NO2/c15-11-7-3-6-10-12(11)13(16)8-4-1-2-5-9(8)14-10/h1-7,12,14H
InChIKeyIWAPGMXVESUAKJ-UHFFFAOYSA-N
XLogP1.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9a,10-dihydroacridine-1,9-dione?
The IUPAC name of 9a,10-dihydroacridine-1,9-dione (CID 22923123) is 9a,10-dihydroacridine-1,9-dione.
What is the SMILES notation for 9a,10-dihydroacridine-1,9-dione?
The canonical SMILES for 9a,10-dihydroacridine-1,9-dione is O=C1C=CC=C2Nc3ccccc3C(=O)C12.
What is the InChIKey of 9a,10-dihydroacridine-1,9-dione?
The InChIKey is IWAPGMXVESUAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c15-11-7-3-6-10-12(11)13(16)8-4-1-2-5-9(8)14-10/h1-7,12,14H.
What are the key properties of 9a,10-dihydroacridine-1,9-dione?
9a,10-dihydroacridine-1,9-dione has a molecular weight of 211.22 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9a,10-dihydroacridine-1,9-dione is sourced from PubChem (CID 22923123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).