2-(3-oxo-3-pyrrolidin-1-ylpropyl)-6-phenylpyridazin-3-one

C17H19N3O2 — CID 3240208

IUPAC2-(3-oxo-3-pyrrolidin-1-ylpropyl)-6-phenylpyridazin-3-one
SMILESO=C(CCn1nc(-c2ccccc2)ccc1=O)N1CCCC1
InChIInChI=1S/C17H19N3O2/c21-16(19-11-4-5-12-19)10-13-20-17(22)9-8-15(18-20)14-6-2-1-3-7-14/h1-3,6-9H,4-5,10-13H2
InChIKeyXUQNPUYXSJKIRB-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.92
Rot. Bonds4

About 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-6-phenylpyridazin-3-one

2-(3-oxo-3-pyrrolidin-1-ylpropyl)-6-phenylpyridazin-3-one (PubChem CID 3240208) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-(3-oxo-3-pyrrolidin-1-ylpropyl)-6-phenylpyridazin-3-one
PubChem CID3240208
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-(3-oxo-3-pyrrolidin-1-ylpropyl)-6-phenylpyridazin-3-one
SMILESO=C(CCn1nc(-c2ccccc2)ccc1=O)N1CCCC1
InChIInChI=1S/C17H19N3O2/c21-16(19-11-4-5-12-19)10-13-20-17(22)9-8-15(18-20)14-6-2-1-3-7-14/h1-3,6-9H,4-5,10-13H2
InChIKeyXUQNPUYXSJKIRB-UHFFFAOYSA-N
XLogP1.92
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-6-phenylpyridazin-3-one?
The IUPAC name of 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-6-phenylpyridazin-3-one (CID 3240208) is 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-6-phenylpyridazin-3-one?
The canonical SMILES for 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-6-phenylpyridazin-3-one is O=C(CCn1nc(-c2ccccc2)ccc1=O)N1CCCC1.
What is the InChIKey of 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-6-phenylpyridazin-3-one?
The InChIKey is XUQNPUYXSJKIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-16(19-11-4-5-12-19)10-13-20-17(22)9-8-15(18-20)14-6-2-1-3-7-14/h1-3,6-9H,4-5,10-13H2.
What are the key properties of 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-6-phenylpyridazin-3-one?
2-(3-oxo-3-pyrrolidin-1-ylpropyl)-6-phenylpyridazin-3-one has a molecular weight of 297.36 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-3-pyrrolidin-1-ylpropyl)-6-phenylpyridazin-3-one is sourced from PubChem (CID 3240208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).