ethyl 6-methyl-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate

C11H12N2O3 — CID 156887147

IUPACethyl 6-methyl-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1c[nH]n2cc(C)cc2c1=O
InChIInChI=1S/C11H12N2O3/c1-3-16-11(15)8-5-12-13-6-7(2)4-9(13)10(8)14/h4-6,12H,3H2,1-2H3
InChIKeyVSQKZVBPDLAEOG-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.11
Rot. Bonds2

About ethyl 6-methyl-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate

ethyl 6-methyl-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate (PubChem CID 156887147) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is ethyl 6-methyl-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate
PubChem CID156887147
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Nameethyl 6-methyl-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1c[nH]n2cc(C)cc2c1=O
InChIInChI=1S/C11H12N2O3/c1-3-16-11(15)8-5-12-13-6-7(2)4-9(13)10(8)14/h4-6,12H,3H2,1-2H3
InChIKeyVSQKZVBPDLAEOG-UHFFFAOYSA-N
XLogP1.11
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate?
The IUPAC name of ethyl 6-methyl-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate (CID 156887147) is ethyl 6-methyl-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 6-methyl-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 6-methyl-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate is CCOC(=O)c1c[nH]n2cc(C)cc2c1=O.
What is the InChIKey of ethyl 6-methyl-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate?
The InChIKey is VSQKZVBPDLAEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-3-16-11(15)8-5-12-13-6-7(2)4-9(13)10(8)14/h4-6,12H,3H2,1-2H3.
What are the key properties of ethyl 6-methyl-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate?
ethyl 6-methyl-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate has a molecular weight of 220.23 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate is sourced from PubChem (CID 156887147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).