4-[3-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-1-yl]-1H-pyridazin-6-one

C15H14FN3O2 — CID 177208010

IUPAC4-[3-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-1-yl]-1H-pyridazin-6-one
SMILESO=C1C(Cc2ccc(F)cc2)CCN1c1cn[nH]c(=O)c1
InChIInChI=1S/C15H14FN3O2/c16-12-3-1-10(2-4-12)7-11-5-6-19(15(11)21)13-8-14(20)18-17-9-13/h1-4,8-9,11H,5-7H2,(H,18,20)
InChIKeyQJOWZTNNTIJYAM-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.50
Rot. Bonds3

About 4-[3-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-1-yl]-1H-pyridazin-6-one

4-[3-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-1-yl]-1H-pyridazin-6-one (PubChem CID 177208010) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 4-[3-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[3-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-1-yl]-1H-pyridazin-6-one
PubChem CID177208010
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name4-[3-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-1-yl]-1H-pyridazin-6-one
SMILESO=C1C(Cc2ccc(F)cc2)CCN1c1cn[nH]c(=O)c1
InChIInChI=1S/C15H14FN3O2/c16-12-3-1-10(2-4-12)7-11-5-6-19(15(11)21)13-8-14(20)18-17-9-13/h1-4,8-9,11H,5-7H2,(H,18,20)
InChIKeyQJOWZTNNTIJYAM-UHFFFAOYSA-N
XLogP1.50
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 4-[3-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-1-yl]-1H-pyridazin-6-one (CID 177208010) is 4-[3-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[3-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 4-[3-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-1-yl]-1H-pyridazin-6-one is O=C1C(Cc2ccc(F)cc2)CCN1c1cn[nH]c(=O)c1.
What is the InChIKey of 4-[3-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-1-yl]-1H-pyridazin-6-one?
The InChIKey is QJOWZTNNTIJYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c16-12-3-1-10(2-4-12)7-11-5-6-19(15(11)21)13-8-14(20)18-17-9-13/h1-4,8-9,11H,5-7H2,(H,18,20).
What are the key properties of 4-[3-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-1-yl]-1H-pyridazin-6-one?
4-[3-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-1-yl]-1H-pyridazin-6-one has a molecular weight of 287.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 177208010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).