6-(4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one

C16H16FN3O2 — CID 7664521

IUPAC6-(4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
SMILESO=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)N1CCCC1
InChIInChI=1S/C16H16FN3O2/c17-13-5-3-12(4-6-13)14-7-8-15(21)20(18-14)11-16(22)19-9-1-2-10-19/h3-8H,1-2,9-11H2
InChIKeyLKBKZSDFXPQHKF-UHFFFAOYSA-N
MW301.32 g/mol
LogP1.67
Rot. Bonds3

About 6-(4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one

6-(4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one (PubChem CID 7664521) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
PubChem CID7664521
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name6-(4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
SMILESO=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)N1CCCC1
InChIInChI=1S/C16H16FN3O2/c17-13-5-3-12(4-6-13)14-7-8-15(21)20(18-14)11-16(22)19-9-1-2-10-19/h3-8H,1-2,9-11H2
InChIKeyLKBKZSDFXPQHKF-UHFFFAOYSA-N
XLogP1.67
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one?
The IUPAC name of 6-(4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one (CID 7664521) is 6-(4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one is O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)N1CCCC1.
What is the InChIKey of 6-(4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one?
The InChIKey is LKBKZSDFXPQHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-13-5-3-12(4-6-13)14-7-8-15(21)20(18-14)11-16(22)19-9-1-2-10-19/h3-8H,1-2,9-11H2.
What are the key properties of 6-(4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one?
6-(4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one has a molecular weight of 301.32 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one is sourced from PubChem (CID 7664521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).