2-(2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one

C11H15N3O2 — CID 114396032

IUPAC2-(2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCC(=O)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C11H15N3O2/c1-9(15)8-14-11(16)6-10(7-12-14)13-4-2-3-5-13/h6-7H,2-5,8H2,1H3
InChIKeyUIADAHOJVWIENE-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.43
Rot. Bonds3

About 2-(2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one

2-(2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 114396032) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID114396032
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-(2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCC(=O)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C11H15N3O2/c1-9(15)8-14-11(16)6-10(7-12-14)13-4-2-3-5-13/h6-7H,2-5,8H2,1H3
InChIKeyUIADAHOJVWIENE-UHFFFAOYSA-N
XLogP0.43
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,2-difluoroethyl)-5-(1-pyrrolidinyl)-3(2H)-pyridazinone
CID 30937350
2-Methyl-5-pyrrolidin-1-ylpyridazin-3-one
CID 101073859
2-[2-(2,5-Dihydropyrrol-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 28097404
2-(2-chloro-2-propen-1-yl)-5-(1-pyrrolidinyl)-3(2H)-pyridazinone
CID 30897844
5-(dimethylamino)-2-(1-methyl-2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3(2H)-one
CID 72847356
5-(dimethylamino)-2-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridazin-3-one
CID 97188792
5-(dimethylamino)-2-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridazin-3-one
CID 97188793
5-Amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 103218320
5-[2-Aminoethyl(methyl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 103223438
2-(4-Oxohexyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 106801872
2-(3-Methoxy-2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 107507885
2-(3-Methyl-2-oxopentyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 113579559

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-(2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one (CID 114396032) is 2-(2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-(2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-(2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one is CC(=O)Cn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of 2-(2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is UIADAHOJVWIENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-9(15)8-14-11(16)6-10(7-12-14)13-4-2-3-5-13/h6-7H,2-5,8H2,1H3.
What are the key properties of 2-(2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one?
2-(2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 221.26 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 114396032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).