4-(2-oxopyrrolidin-1-yl)-1,2-dihydropyridazine-3,6-dione

C8H9N3O3 — CID 173365283

IUPAC4-(2-oxopyrrolidin-1-yl)-1,2-dihydropyridazine-3,6-dione
SMILESO=C1CCCN1c1cc(=O)[nH][nH]c1=O
InChIInChI=1S/C8H9N3O3/c12-6-4-5(8(14)10-9-6)11-3-1-2-7(11)13/h4H,1-3H2,(H,9,12)(H,10,14)
InChIKeyHQJMYYZWSKGNSR-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.81
Rot. Bonds1

About 4-(2-oxopyrrolidin-1-yl)-1,2-dihydropyridazine-3,6-dione

4-(2-oxopyrrolidin-1-yl)-1,2-dihydropyridazine-3,6-dione (PubChem CID 173365283) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-1,2-dihydropyridazine-3,6-dione.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-1,2-dihydropyridazine-3,6-dione
PubChem CID173365283
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name4-(2-oxopyrrolidin-1-yl)-1,2-dihydropyridazine-3,6-dione
SMILESO=C1CCCN1c1cc(=O)[nH][nH]c1=O
InChIInChI=1S/C8H9N3O3/c12-6-4-5(8(14)10-9-6)11-3-1-2-7(11)13/h4H,1-3H2,(H,9,12)(H,10,14)
InChIKeyHQJMYYZWSKGNSR-UHFFFAOYSA-N
XLogP-0.81
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]-1H-pyrazol-5-one
CID 118690584
2-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyridazine-3,6-dione
CID 60635018
5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-dihydropyrazole-3-carboxamide
CID 108466306
N-butyl-5-oxo-N-propyl-1,2-dihydropyrazole-3-carboxamide
CID 108466351
N,N-dibutyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 108466361
N-butyl-N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 110600693
5-oxo-N,N-dipropyl-1,2-dihydropyrazole-3-carboxamide
CID 110600694
5-(Pyrrolidine-1-carbonyl)-1,2-dihydropyrazol-3-one
CID 112513806
5-(Piperidine-1-carbonyl)-1,2-dihydropyrazol-3-one
CID 112513808
N,N-diethyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 112513843
5-[(2-Oxopyrrolidin-1-yl)methyl]-1,2-dihydropyrazol-3-one
CID 170912942
CID 178881945
CID 178881945

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-1,2-dihydropyridazine-3,6-dione?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-1,2-dihydropyridazine-3,6-dione (CID 173365283) is 4-(2-oxopyrrolidin-1-yl)-1,2-dihydropyridazine-3,6-dione.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-1,2-dihydropyridazine-3,6-dione?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-1,2-dihydropyridazine-3,6-dione is O=C1CCCN1c1cc(=O)[nH][nH]c1=O.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-1,2-dihydropyridazine-3,6-dione?
The InChIKey is HQJMYYZWSKGNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c12-6-4-5(8(14)10-9-6)11-3-1-2-7(11)13/h4H,1-3H2,(H,9,12)(H,10,14).
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-1,2-dihydropyridazine-3,6-dione?
4-(2-oxopyrrolidin-1-yl)-1,2-dihydropyridazine-3,6-dione has a molecular weight of 195.18 g/mol, XLogP of -0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)-1,2-dihydropyridazine-3,6-dione is sourced from PubChem (CID 173365283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).