methyl 5-oxo-1-pyridazin-4-ylpyrrolidine-3-carboxylate

C10H11N3O3 — CID 168695358

IUPACmethyl 5-oxo-1-pyridazin-4-ylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2ccnnc2)C1
InChIInChI=1S/C10H11N3O3/c1-16-10(15)7-4-9(14)13(6-7)8-2-3-11-12-5-8/h2-3,5,7H,4,6H2,1H3
InChIKeyIQZKSFIFBANDEI-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.00
Rot. Bonds2

About methyl 5-oxo-1-pyridazin-4-ylpyrrolidine-3-carboxylate

methyl 5-oxo-1-pyridazin-4-ylpyrrolidine-3-carboxylate (PubChem CID 168695358) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is methyl 5-oxo-1-pyridazin-4-ylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-1-pyridazin-4-ylpyrrolidine-3-carboxylate
PubChem CID168695358
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Namemethyl 5-oxo-1-pyridazin-4-ylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2ccnnc2)C1
InChIInChI=1S/C10H11N3O3/c1-16-10(15)7-4-9(14)13(6-7)8-2-3-11-12-5-8/h2-3,5,7H,4,6H2,1H3
InChIKeyIQZKSFIFBANDEI-UHFFFAOYSA-N
XLogP0.00
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-1-pyridazin-4-ylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 5-oxo-1-pyridazin-4-ylpyrrolidine-3-carboxylate (CID 168695358) is methyl 5-oxo-1-pyridazin-4-ylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 5-oxo-1-pyridazin-4-ylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 5-oxo-1-pyridazin-4-ylpyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(c2ccnnc2)C1.
What is the InChIKey of methyl 5-oxo-1-pyridazin-4-ylpyrrolidine-3-carboxylate?
The InChIKey is IQZKSFIFBANDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-16-10(15)7-4-9(14)13(6-7)8-2-3-11-12-5-8/h2-3,5,7H,4,6H2,1H3.
What are the key properties of methyl 5-oxo-1-pyridazin-4-ylpyrrolidine-3-carboxylate?
methyl 5-oxo-1-pyridazin-4-ylpyrrolidine-3-carboxylate has a molecular weight of 221.22 g/mol, XLogP of 0.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-1-pyridazin-4-ylpyrrolidine-3-carboxylate is sourced from PubChem (CID 168695358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).