2-(2-chloroprop-2-enyl)-5-pyrrolidin-1-ylpyridazin-3-one

C11H14ClN3O — CID 30897844

IUPAC2-(2-chloroprop-2-enyl)-5-pyrrolidin-1-ylpyridazin-3-one
SMILESC=C(Cl)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C11H14ClN3O/c1-9(12)8-15-11(16)6-10(7-13-15)14-4-2-3-5-14/h6-7H,1-5,8H2
InChIKeyTVJLNKAXODTKRR-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.60
Rot. Bonds3

About 2-(2-chloroprop-2-enyl)-5-pyrrolidin-1-ylpyridazin-3-one

2-(2-chloroprop-2-enyl)-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 30897844) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 2-(2-chloroprop-2-enyl)-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-chloroprop-2-enyl)-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID30897844
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name2-(2-chloroprop-2-enyl)-5-pyrrolidin-1-ylpyridazin-3-one
SMILESC=C(Cl)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C11H14ClN3O/c1-9(12)8-15-11(16)6-10(7-13-15)14-4-2-3-5-14/h6-7H,1-5,8H2
InChIKeyTVJLNKAXODTKRR-UHFFFAOYSA-N
XLogP1.60
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2-difluoroethyl)-5-(1-pyrrolidinyl)-3(2H)-pyridazinone
CID 30937350
5-pyrrolidin-1-yl-2-(3,3,4,4-tetrafluorobutyl)pyridazin-3(2H)-one
CID 72868732
2-(5-fluoropentyl)-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 72895285
Trifluoro-[3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746468
Trifluoro-[(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)methyl]boranuide
CID 114398748
2-Methyl-5-pyrrolidin-1-ylpyridazin-3-one
CID 101073859
4-chloro-2-methyl-5-(1-pyrrolidinyl)-3(2H)-pyridazinone
CID 33286634
4-Chloro-2-propan-2-yl-5-pyrrolidin-1-ylpyridazin-3-one
CID 35142268
2-Tert-butyl-4-chloro-5-pyrrolidin-1-ylpyridazin-3-one
CID 71937201
2-[2-(Chloromethyl)prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 103065882
5-Amino-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
CID 103218227
Potassium trifluoro-[3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746467

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroprop-2-enyl)-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-(2-chloroprop-2-enyl)-5-pyrrolidin-1-ylpyridazin-3-one (CID 30897844) is 2-(2-chloroprop-2-enyl)-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-(2-chloroprop-2-enyl)-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-(2-chloroprop-2-enyl)-5-pyrrolidin-1-ylpyridazin-3-one is C=C(Cl)Cn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of 2-(2-chloroprop-2-enyl)-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is TVJLNKAXODTKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-9(12)8-15-11(16)6-10(7-13-15)14-4-2-3-5-14/h6-7H,1-5,8H2.
What are the key properties of 2-(2-chloroprop-2-enyl)-5-pyrrolidin-1-ylpyridazin-3-one?
2-(2-chloroprop-2-enyl)-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 239.71 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroprop-2-enyl)-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 30897844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).