2-anilinooxy-2-methyl-3H-inden-1-one

C16H15NO2 — CID 11459443

IUPAC2-anilinooxy-2-methyl-3H-inden-1-one
SMILESCC1(ONc2ccccc2)Cc2ccccc2C1=O
InChIInChI=1S/C16H15NO2/c1-16(19-17-13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)15(16)18/h2-10,17H,11H2,1H3
InChIKeySGCJEZYTODDEGO-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.23
Rot. Bonds3

About 2-anilinooxy-2-methyl-3H-inden-1-one

2-anilinooxy-2-methyl-3H-inden-1-one (PubChem CID 11459443) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-anilinooxy-2-methyl-3H-inden-1-one.

Molecular Properties

Compound Name2-anilinooxy-2-methyl-3H-inden-1-one
PubChem CID11459443
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-anilinooxy-2-methyl-3H-inden-1-one
SMILESCC1(ONc2ccccc2)Cc2ccccc2C1=O
InChIInChI=1S/C16H15NO2/c1-16(19-17-13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)15(16)18/h2-10,17H,11H2,1H3
InChIKeySGCJEZYTODDEGO-UHFFFAOYSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-anilinooxy-2-methyl-3H-inden-1-one 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 2-anilinooxy-2-methyl-3H-inden-1-one?
The IUPAC name of 2-anilinooxy-2-methyl-3H-inden-1-one (CID 11459443) is 2-anilinooxy-2-methyl-3H-inden-1-one.
What is the SMILES notation for 2-anilinooxy-2-methyl-3H-inden-1-one?
The canonical SMILES for 2-anilinooxy-2-methyl-3H-inden-1-one is CC1(ONc2ccccc2)Cc2ccccc2C1=O.
What is the InChIKey of 2-anilinooxy-2-methyl-3H-inden-1-one?
The InChIKey is SGCJEZYTODDEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-16(19-17-13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)15(16)18/h2-10,17H,11H2,1H3.
What are the key properties of 2-anilinooxy-2-methyl-3H-inden-1-one?
2-anilinooxy-2-methyl-3H-inden-1-one has a molecular weight of 253.30 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinooxy-2-methyl-3H-inden-1-one is sourced from PubChem (CID 11459443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).