(4-fluorophenyl)-[1-[(E)-hydroxyiminomethyl]-2-methylindolizin-3-yl]methanone

C17H13FN2O2 — CID 6904896

IUPAC(4-fluorophenyl)-[1-[(E)-hydroxyiminomethyl]-2-methylindolizin-3-yl]methanone
SMILESCc1c(/C=N/O)c2ccccn2c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H13FN2O2/c1-11-14(10-19-22)15-4-2-3-9-20(15)16(11)17(21)12-5-7-13(18)8-6-12/h2-10,22H,1H3/b19-10+
InChIKeyZBSFTGROEDEBPP-VXLYETTFSA-N
MW296.30 g/mol
LogP3.43
Rot. Bonds3

About (4-fluorophenyl)-[1-[(E)-hydroxyiminomethyl]-2-methylindolizin-3-yl]methanone

(4-fluorophenyl)-[1-[(E)-hydroxyiminomethyl]-2-methylindolizin-3-yl]methanone (PubChem CID 6904896) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[(E)-hydroxyiminomethyl]-2-methylindolizin-3-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[(E)-hydroxyiminomethyl]-2-methylindolizin-3-yl]methanone
PubChem CID6904896
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name(4-fluorophenyl)-[1-[(E)-hydroxyiminomethyl]-2-methylindolizin-3-yl]methanone
SMILESCc1c(/C=N/O)c2ccccn2c1C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H13FN2O2/c1-11-14(10-19-22)15-4-2-3-9-20(15)16(11)17(21)12-5-7-13(18)8-6-12/h2-10,22H,1H3/b19-10+
InChIKeyZBSFTGROEDEBPP-VXLYETTFSA-N
XLogP3.43
TPSA54.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (4-fluorophenyl)-[1-[(E)-hydroxyiminomethyl]-2-methylindolizin-3-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[(E)-hydroxyiminomethyl]-2-methylindolizin-3-yl]methanone (CID 6904896) is (4-fluorophenyl)-[1-[(E)-hydroxyiminomethyl]-2-methylindolizin-3-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[(E)-hydroxyiminomethyl]-2-methylindolizin-3-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[(E)-hydroxyiminomethyl]-2-methylindolizin-3-yl]methanone is Cc1c(/C=N/O)c2ccccn2c1C(=O)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-[1-[(E)-hydroxyiminomethyl]-2-methylindolizin-3-yl]methanone?
The InChIKey is ZBSFTGROEDEBPP-VXLYETTFSA-N. The full InChI is InChI=1S/C17H13FN2O2/c1-11-14(10-19-22)15-4-2-3-9-20(15)16(11)17(21)12-5-7-13(18)8-6-12/h2-10,22H,1H3/b19-10+.
What are the key properties of (4-fluorophenyl)-[1-[(E)-hydroxyiminomethyl]-2-methylindolizin-3-yl]methanone?
(4-fluorophenyl)-[1-[(E)-hydroxyiminomethyl]-2-methylindolizin-3-yl]methanone has a molecular weight of 296.30 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[(E)-hydroxyiminomethyl]-2-methylindolizin-3-yl]methanone is sourced from PubChem (CID 6904896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).