2-anilinooxy-2,3-dihydroinden-1-one

C15H13NO2 — CID 23150433

IUPAC2-anilinooxy-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2CC1ONc1ccccc1
InChIInChI=1S/C15H13NO2/c17-15-13-9-5-4-6-11(13)10-14(15)18-16-12-7-2-1-3-8-12/h1-9,14,16H,10H2
InChIKeySGGJZIZYQXJISU-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.84
Rot. Bonds3

About 2-anilinooxy-2,3-dihydroinden-1-one

2-anilinooxy-2,3-dihydroinden-1-one (PubChem CID 23150433) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-anilinooxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-anilinooxy-2,3-dihydroinden-1-one
PubChem CID23150433
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2-anilinooxy-2,3-dihydroinden-1-one
SMILESO=C1c2ccccc2CC1ONc1ccccc1
InChIInChI=1S/C15H13NO2/c17-15-13-9-5-4-6-11(13)10-14(15)18-16-12-7-2-1-3-8-12/h1-9,14,16H,10H2
InChIKeySGGJZIZYQXJISU-UHFFFAOYSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-anilinooxy-2,3-dihydroinden-1-one?
The IUPAC name of 2-anilinooxy-2,3-dihydroinden-1-one (CID 23150433) is 2-anilinooxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-anilinooxy-2,3-dihydroinden-1-one?
The canonical SMILES for 2-anilinooxy-2,3-dihydroinden-1-one is O=C1c2ccccc2CC1ONc1ccccc1.
What is the InChIKey of 2-anilinooxy-2,3-dihydroinden-1-one?
The InChIKey is SGGJZIZYQXJISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c17-15-13-9-5-4-6-11(13)10-14(15)18-16-12-7-2-1-3-8-12/h1-9,14,16H,10H2.
What are the key properties of 2-anilinooxy-2,3-dihydroinden-1-one?
2-anilinooxy-2,3-dihydroinden-1-one has a molecular weight of 239.27 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinooxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 23150433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).