6-(4-fluorophenyl)-8,8a-dihydro-3H-indolizin-7-one

C14H12FNO — CID 155810491

IUPAC6-(4-fluorophenyl)-8,8a-dihydro-3H-indolizin-7-one
SMILESO=C1CC2C=CCN2C=C1c1ccc(F)cc1
InChIInChI=1S/C14H12FNO/c15-11-5-3-10(4-6-11)13-9-16-7-1-2-12(16)8-14(13)17/h1-6,9,12H,7-8H2
InChIKeyVDWXQIHLNJYLOH-UHFFFAOYSA-N
MW229.25 g/mol
LogP2.38
Rot. Bonds1

About 6-(4-fluorophenyl)-8,8a-dihydro-3H-indolizin-7-one

6-(4-fluorophenyl)-8,8a-dihydro-3H-indolizin-7-one (PubChem CID 155810491) has the molecular formula C14H12FNO and a molecular weight of 229.25 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-8,8a-dihydro-3H-indolizin-7-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-8,8a-dihydro-3H-indolizin-7-one
PubChem CID155810491
Molecular FormulaC14H12FNO
Molecular Weight229.25 g/mol
Exact Mass229.09
IUPAC Name6-(4-fluorophenyl)-8,8a-dihydro-3H-indolizin-7-one
SMILESO=C1CC2C=CCN2C=C1c1ccc(F)cc1
InChIInChI=1S/C14H12FNO/c15-11-5-3-10(4-6-11)13-9-16-7-1-2-12(16)8-14(13)17/h1-6,9,12H,7-8H2
InChIKeyVDWXQIHLNJYLOH-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-8,8a-dihydro-3H-indolizin-7-one?
The IUPAC name of 6-(4-fluorophenyl)-8,8a-dihydro-3H-indolizin-7-one (CID 155810491) is 6-(4-fluorophenyl)-8,8a-dihydro-3H-indolizin-7-one.
What is the SMILES notation for 6-(4-fluorophenyl)-8,8a-dihydro-3H-indolizin-7-one?
The canonical SMILES for 6-(4-fluorophenyl)-8,8a-dihydro-3H-indolizin-7-one is O=C1CC2C=CCN2C=C1c1ccc(F)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-8,8a-dihydro-3H-indolizin-7-one?
The InChIKey is VDWXQIHLNJYLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO/c15-11-5-3-10(4-6-11)13-9-16-7-1-2-12(16)8-14(13)17/h1-6,9,12H,7-8H2.
What are the key properties of 6-(4-fluorophenyl)-8,8a-dihydro-3H-indolizin-7-one?
6-(4-fluorophenyl)-8,8a-dihydro-3H-indolizin-7-one has a molecular weight of 229.25 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-8,8a-dihydro-3H-indolizin-7-one is sourced from PubChem (CID 155810491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).