[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-indolizin-2-ylmethanone

C19H17FN2O2 — CID 154798734

IUPAC[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-indolizin-2-ylmethanone
SMILESO=C(c1cc2ccccn2c1)N1CCC(O)(c2ccc(F)cc2)C1
InChIInChI=1S/C19H17FN2O2/c20-16-6-4-15(5-7-16)19(24)8-10-22(13-19)18(23)14-11-17-3-1-2-9-21(17)12-14/h1-7,9,11-12,24H,8,10,13H2
InChIKeyMZRHOHUBZFDCBI-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.81
Rot. Bonds2

About [3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-indolizin-2-ylmethanone

[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-indolizin-2-ylmethanone (PubChem CID 154798734) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-indolizin-2-ylmethanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-indolizin-2-ylmethanone
PubChem CID154798734
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-indolizin-2-ylmethanone
SMILESO=C(c1cc2ccccn2c1)N1CCC(O)(c2ccc(F)cc2)C1
InChIInChI=1S/C19H17FN2O2/c20-16-6-4-15(5-7-16)19(24)8-10-22(13-19)18(23)14-11-17-3-1-2-9-21(17)12-14/h1-7,9,11-12,24H,8,10,13H2
InChIKeyMZRHOHUBZFDCBI-UHFFFAOYSA-N
XLogP2.81
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-indolizin-2-ylmethanone?
The IUPAC name of [3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-indolizin-2-ylmethanone (CID 154798734) is [3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-indolizin-2-ylmethanone.
What is the SMILES notation for [3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-indolizin-2-ylmethanone?
The canonical SMILES for [3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-indolizin-2-ylmethanone is O=C(c1cc2ccccn2c1)N1CCC(O)(c2ccc(F)cc2)C1.
What is the InChIKey of [3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-indolizin-2-ylmethanone?
The InChIKey is MZRHOHUBZFDCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c20-16-6-4-15(5-7-16)19(24)8-10-22(13-19)18(23)14-11-17-3-1-2-9-21(17)12-14/h1-7,9,11-12,24H,8,10,13H2.
What are the key properties of [3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-indolizin-2-ylmethanone?
[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-indolizin-2-ylmethanone has a molecular weight of 324.36 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]-indolizin-2-ylmethanone is sourced from PubChem (CID 154798734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).