9,9-dimethylacridin-2-one

C15H13NO — CID 91270259

IUPAC9,9-dimethylacridin-2-one
SMILESCC1(C)C2=CC(=O)C=CC2=Nc2ccccc21
InChIInChI=1S/C15H13NO/c1-15(2)11-5-3-4-6-13(11)16-14-8-7-10(17)9-12(14)15/h3-9H,1-2H3
InChIKeyDKCSPLVXYLBIPQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.12
Rot. Bonds

About 9,9-dimethylacridin-2-one

9,9-dimethylacridin-2-one (PubChem CID 91270259) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 9,9-dimethylacridin-2-one.

Molecular Properties

Compound Name9,9-dimethylacridin-2-one
PubChem CID91270259
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name9,9-dimethylacridin-2-one
SMILESCC1(C)C2=CC(=O)C=CC2=Nc2ccccc21
InChIInChI=1S/C15H13NO/c1-15(2)11-5-3-4-6-13(11)16-14-8-7-10(17)9-12(14)15/h3-9H,1-2H3
InChIKeyDKCSPLVXYLBIPQ-UHFFFAOYSA-N
XLogP3.12
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethylacridin-2-one?
The IUPAC name of 9,9-dimethylacridin-2-one (CID 91270259) is 9,9-dimethylacridin-2-one.
What is the SMILES notation for 9,9-dimethylacridin-2-one?
The canonical SMILES for 9,9-dimethylacridin-2-one is CC1(C)C2=CC(=O)C=CC2=Nc2ccccc21.
What is the InChIKey of 9,9-dimethylacridin-2-one?
The InChIKey is DKCSPLVXYLBIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-15(2)11-5-3-4-6-13(11)16-14-8-7-10(17)9-12(14)15/h3-9H,1-2H3.
What are the key properties of 9,9-dimethylacridin-2-one?
9,9-dimethylacridin-2-one has a molecular weight of 223.28 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethylacridin-2-one is sourced from PubChem (CID 91270259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).