2-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyridazine-3,6-dione

C10H13N3O3 — CID 60635018

IUPAC2-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1CCCC1
InChIInChI=1S/C10H13N3O3/c14-8-3-4-9(15)13(11-8)7-10(16)12-5-1-2-6-12/h3-4H,1-2,5-7H2,(H,11,14)
InChIKeyDTDSPOAGLFFGQV-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.84
Rot. Bonds2

About 2-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyridazine-3,6-dione

2-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyridazine-3,6-dione (PubChem CID 60635018) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyridazine-3,6-dione
PubChem CID60635018
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1CCCC1
InChIInChI=1S/C10H13N3O3/c14-8-3-4-9(15)13(11-8)7-10(16)12-5-1-2-6-12/h3-4H,1-2,5-7H2,(H,11,14)
InChIKeyDTDSPOAGLFFGQV-UHFFFAOYSA-N
XLogP-0.84
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 3595132
2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetohydrazide
CID 45089030
2-[2-(dimethylamino)ethyl]-1H-pyridazine-3,6-dione
CID 138715539
2-(2,5-Dioxopyrrol-1-yl)acetohydrazide;hydrochloride
CID 141721642
N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]prop-2-enamide
CID 153802612
4-(2-Oxopyrrolidin-1-yl)-1,2-dihydropyridazine-3,6-dione
CID 173365283
2-(3,6-dioxo-1H-pyridazin-2-yl)acetohydrazide
CID 3809948
N-(2-cyanoethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide
CID 43243633
N-cyclopropyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethylacetamide
CID 45807909
2-(2-oxo-2-piperidin-1-ylethyl)-1H-pyridazine-3,6-dione
CID 60634761
2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-diethylacetamide
CID 60635966
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-ethylacetamide
CID 60636501

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyridazine-3,6-dione (CID 60635018) is 2-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyridazine-3,6-dione is O=C(Cn1[nH]c(=O)ccc1=O)N1CCCC1.
What is the InChIKey of 2-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyridazine-3,6-dione?
The InChIKey is DTDSPOAGLFFGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-8-3-4-9(15)13(11-8)7-10(16)12-5-1-2-6-12/h3-4H,1-2,5-7H2,(H,11,14).
What are the key properties of 2-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyridazine-3,6-dione?
2-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyridazine-3,6-dione has a molecular weight of 223.23 g/mol, XLogP of -0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 60635018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).