1-fluoranthen-3-yl-3-hydroxyiminobutan-1-one

C20H15NO2 — CID 152688045

IUPAC1-fluoranthen-3-yl-3-hydroxyiminobutan-1-one
SMILESCC(CC(=O)c1ccc2c3c(cccc13)-c1ccccc1-2)=NO
InChIInChI=1S/C20H15NO2/c1-12(21-23)11-19(22)15-9-10-18-14-6-3-2-5-13(14)16-7-4-8-17(15)20(16)18/h2-10,23H,11H2,1H3
InChIKeyZOZNFLCFOLJGDC-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.91
Rot. Bonds3

About 1-fluoranthen-3-yl-3-hydroxyiminobutan-1-one

1-fluoranthen-3-yl-3-hydroxyiminobutan-1-one (PubChem CID 152688045) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-fluoranthen-3-yl-3-hydroxyiminobutan-1-one.

Molecular Properties

Compound Name1-fluoranthen-3-yl-3-hydroxyiminobutan-1-one
PubChem CID152688045
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name1-fluoranthen-3-yl-3-hydroxyiminobutan-1-one
SMILESCC(CC(=O)c1ccc2c3c(cccc13)-c1ccccc1-2)=NO
InChIInChI=1S/C20H15NO2/c1-12(21-23)11-19(22)15-9-10-18-14-6-3-2-5-13(14)16-7-4-8-17(15)20(16)18/h2-10,23H,11H2,1H3
InChIKeyZOZNFLCFOLJGDC-UHFFFAOYSA-N
XLogP4.91
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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-fluoranthen-3-yl-3-hydroxyiminobutan-1-one?
The IUPAC name of 1-fluoranthen-3-yl-3-hydroxyiminobutan-1-one (CID 152688045) is 1-fluoranthen-3-yl-3-hydroxyiminobutan-1-one.
What is the SMILES notation for 1-fluoranthen-3-yl-3-hydroxyiminobutan-1-one?
The canonical SMILES for 1-fluoranthen-3-yl-3-hydroxyiminobutan-1-one is CC(CC(=O)c1ccc2c3c(cccc13)-c1ccccc1-2)=NO.
What is the InChIKey of 1-fluoranthen-3-yl-3-hydroxyiminobutan-1-one?
The InChIKey is ZOZNFLCFOLJGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c1-12(21-23)11-19(22)15-9-10-18-14-6-3-2-5-13(14)16-7-4-8-17(15)20(16)18/h2-10,23H,11H2,1H3.
What are the key properties of 1-fluoranthen-3-yl-3-hydroxyiminobutan-1-one?
1-fluoranthen-3-yl-3-hydroxyiminobutan-1-one has a molecular weight of 301.35 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoranthen-3-yl-3-hydroxyiminobutan-1-one is sourced from PubChem (CID 152688045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).