1-(fluoren-9-ylideneamino)oxy-3-phenylpropan-2-one

C22H17NO2 — CID 58612667

IUPAC1-(fluoren-9-ylideneamino)oxy-3-phenylpropan-2-one
SMILESO=C(CON=C1c2ccccc2-c2ccccc21)Cc1ccccc1
InChIInChI=1S/C22H17NO2/c24-17(14-16-8-2-1-3-9-16)15-25-23-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13H,14-15H2
InChIKeyBNDGDIUHOAIMRI-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.25
Rot. Bonds5

About 1-(fluoren-9-ylideneamino)oxy-3-phenylpropan-2-one

1-(fluoren-9-ylideneamino)oxy-3-phenylpropan-2-one (PubChem CID 58612667) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-(fluoren-9-ylideneamino)oxy-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-(fluoren-9-ylideneamino)oxy-3-phenylpropan-2-one
PubChem CID58612667
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name1-(fluoren-9-ylideneamino)oxy-3-phenylpropan-2-one
SMILESO=C(CON=C1c2ccccc2-c2ccccc21)Cc1ccccc1
InChIInChI=1S/C22H17NO2/c24-17(14-16-8-2-1-3-9-16)15-25-23-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13H,14-15H2
InChIKeyBNDGDIUHOAIMRI-UHFFFAOYSA-N
XLogP4.25
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoren-9-ylideneamino)oxy-3-phenylpropan-2-one?
The IUPAC name of 1-(fluoren-9-ylideneamino)oxy-3-phenylpropan-2-one (CID 58612667) is 1-(fluoren-9-ylideneamino)oxy-3-phenylpropan-2-one.
What is the SMILES notation for 1-(fluoren-9-ylideneamino)oxy-3-phenylpropan-2-one?
The canonical SMILES for 1-(fluoren-9-ylideneamino)oxy-3-phenylpropan-2-one is O=C(CON=C1c2ccccc2-c2ccccc21)Cc1ccccc1.
What is the InChIKey of 1-(fluoren-9-ylideneamino)oxy-3-phenylpropan-2-one?
The InChIKey is BNDGDIUHOAIMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c24-17(14-16-8-2-1-3-9-16)15-25-23-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13H,14-15H2.
What are the key properties of 1-(fluoren-9-ylideneamino)oxy-3-phenylpropan-2-one?
1-(fluoren-9-ylideneamino)oxy-3-phenylpropan-2-one has a molecular weight of 327.38 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoren-9-ylideneamino)oxy-3-phenylpropan-2-one is sourced from PubChem (CID 58612667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).