10H-acridin-9-one

C26H18N2O2 — CID 22753806

IUPAC10H-acridin-9-one
SMILESO=c1c2ccccc2[nH]c2ccccc12.O=c1c2ccccc2[nH]c2ccccc12
InChIInChI=1S/2C13H9NO/c2*15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h2*1-8H,(H,14,15)
InChIKeyNMEGCYRCROQCLZ-UHFFFAOYSA-N
MW390.44 g/mol
LogP5.36
Rot. Bonds

About 10H-acridin-9-one

10H-acridin-9-one (PubChem CID 22753806) has the molecular formula C26H18N2O2 and a molecular weight of 390.44 g/mol. Its IUPAC name is 10H-acridin-9-one.

Molecular Properties

Compound Name10H-acridin-9-one
PubChem CID22753806
Molecular FormulaC26H18N2O2
Molecular Weight390.44 g/mol
Exact Mass390.14
IUPAC Name10H-acridin-9-one
SMILESO=c1c2ccccc2[nH]c2ccccc12.O=c1c2ccccc2[nH]c2ccccc12
InChIInChI=1S/2C13H9NO/c2*15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h2*1-8H,(H,14,15)
InChIKeyNMEGCYRCROQCLZ-UHFFFAOYSA-N
XLogP5.36
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.44
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10H-acridin-9-one?
The IUPAC name of 10H-acridin-9-one (CID 22753806) is 10H-acridin-9-one.
What is the SMILES notation for 10H-acridin-9-one?
The canonical SMILES for 10H-acridin-9-one is O=c1c2ccccc2[nH]c2ccccc12.O=c1c2ccccc2[nH]c2ccccc12.
What is the InChIKey of 10H-acridin-9-one?
The InChIKey is NMEGCYRCROQCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H9NO/c2*15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h2*1-8H,(H,14,15).
What are the key properties of 10H-acridin-9-one?
10H-acridin-9-one has a molecular weight of 390.44 g/mol, XLogP of 5.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-acridin-9-one is sourced from PubChem (CID 22753806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).