ethyl 4-oxo-3H-pyrrolo[1,2-b]pyridazine-7-carboxylate

C10H10N2O3 — CID 58056368

IUPACethyl 4-oxo-3H-pyrrolo[1,2-b]pyridazine-7-carboxylate
SMILESCCOC(=O)c1ccc2n1N=CCC2=O
InChIInChI=1S/C10H10N2O3/c1-2-15-10(14)8-4-3-7-9(13)5-6-11-12(7)8/h3-4,6H,2,5H2,1H3
InChIKeyUPCQUFWUIKNYDX-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.09
Rot. Bonds2

About ethyl 4-oxo-3H-pyrrolo[1,2-b]pyridazine-7-carboxylate

ethyl 4-oxo-3H-pyrrolo[1,2-b]pyridazine-7-carboxylate (PubChem CID 58056368) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is ethyl 4-oxo-3H-pyrrolo[1,2-b]pyridazine-7-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-3H-pyrrolo[1,2-b]pyridazine-7-carboxylate
PubChem CID58056368
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Nameethyl 4-oxo-3H-pyrrolo[1,2-b]pyridazine-7-carboxylate
SMILESCCOC(=O)c1ccc2n1N=CCC2=O
InChIInChI=1S/C10H10N2O3/c1-2-15-10(14)8-4-3-7-9(13)5-6-11-12(7)8/h3-4,6H,2,5H2,1H3
InChIKeyUPCQUFWUIKNYDX-UHFFFAOYSA-N
XLogP1.09
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-3H-pyrrolo[1,2-b]pyridazine-7-carboxylate?
The IUPAC name of ethyl 4-oxo-3H-pyrrolo[1,2-b]pyridazine-7-carboxylate (CID 58056368) is ethyl 4-oxo-3H-pyrrolo[1,2-b]pyridazine-7-carboxylate.
What is the SMILES notation for ethyl 4-oxo-3H-pyrrolo[1,2-b]pyridazine-7-carboxylate?
The canonical SMILES for ethyl 4-oxo-3H-pyrrolo[1,2-b]pyridazine-7-carboxylate is CCOC(=O)c1ccc2n1N=CCC2=O.
What is the InChIKey of ethyl 4-oxo-3H-pyrrolo[1,2-b]pyridazine-7-carboxylate?
The InChIKey is UPCQUFWUIKNYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-2-15-10(14)8-4-3-7-9(13)5-6-11-12(7)8/h3-4,6H,2,5H2,1H3.
What are the key properties of ethyl 4-oxo-3H-pyrrolo[1,2-b]pyridazine-7-carboxylate?
ethyl 4-oxo-3H-pyrrolo[1,2-b]pyridazine-7-carboxylate has a molecular weight of 206.20 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-3H-pyrrolo[1,2-b]pyridazine-7-carboxylate is sourced from PubChem (CID 58056368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).