ethyl 3-oxo-2,5-dihydroindeno[1,2-c]pyridazine-4-carboxylate

C14H12N2O3 — CID 10848653

IUPACethyl 3-oxo-2,5-dihydroindeno[1,2-c]pyridazine-4-carboxylate
SMILESCCOC(=O)c1c2c(n[nH]c1=O)-c1ccccc1C2
InChIInChI=1S/C14H12N2O3/c1-2-19-14(18)11-10-7-8-5-3-4-6-9(8)12(10)15-16-13(11)17/h3-6H,2,7H2,1H3,(H,16,17)
InChIKeyIQCWJHHQSUDWHY-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.52
Rot. Bonds2

About ethyl 3-oxo-2,5-dihydroindeno[1,2-c]pyridazine-4-carboxylate

ethyl 3-oxo-2,5-dihydroindeno[1,2-c]pyridazine-4-carboxylate (PubChem CID 10848653) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is ethyl 3-oxo-2,5-dihydroindeno[1,2-c]pyridazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-oxo-2,5-dihydroindeno[1,2-c]pyridazine-4-carboxylate
PubChem CID10848653
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Nameethyl 3-oxo-2,5-dihydroindeno[1,2-c]pyridazine-4-carboxylate
SMILESCCOC(=O)c1c2c(n[nH]c1=O)-c1ccccc1C2
InChIInChI=1S/C14H12N2O3/c1-2-19-14(18)11-10-7-8-5-3-4-6-9(8)12(10)15-16-13(11)17/h3-6H,2,7H2,1H3,(H,16,17)
InChIKeyIQCWJHHQSUDWHY-UHFFFAOYSA-N
XLogP1.52
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 132573936
ethyl 3,4-diazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2,5,7,9,11,15,17-octaene-5-carboxylate
CID 164806552
3-oxo-5,6-dihydro-2H-benzo[h]cinnoline-4-carboxylic acid
CID 10847727
2,4-dihydroindeno[1,2-c]pyrazole-3-carboxamide
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ethyl 3-methyl-1,4-dihydroindeno[1,2-b]pyrrole-2-carboxylate
CID 10105747
ethyl 1,4-dihydroindeno[1,2-b]pyrrole-3-carboxylate
CID 69442216
ethyl 4-oxo-2H-indeno[1,2-c]pyrazole-3-carboxylate
CID 154276205
ethyl 2-[3-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenoxy]acetate
CID 18415841
ethyl 2-[(2-methoxyacetyl)amino]-4H-indeno[1,2-b]thiophene-3-carboxylate
CID 46094733
ethyl 6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate
CID 163198497
3-tert-butyl-2,4-dihydroindeno[1,2-c]pyrazole
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ethyl 3-(2-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxylate
CID 121205182

Frequently Asked Questions

What is the IUPAC name of ethyl 3-oxo-2,5-dihydroindeno[1,2-c]pyridazine-4-carboxylate?
The IUPAC name of ethyl 3-oxo-2,5-dihydroindeno[1,2-c]pyridazine-4-carboxylate (CID 10848653) is ethyl 3-oxo-2,5-dihydroindeno[1,2-c]pyridazine-4-carboxylate.
What is the SMILES notation for ethyl 3-oxo-2,5-dihydroindeno[1,2-c]pyridazine-4-carboxylate?
The canonical SMILES for ethyl 3-oxo-2,5-dihydroindeno[1,2-c]pyridazine-4-carboxylate is CCOC(=O)c1c2c(n[nH]c1=O)-c1ccccc1C2.
What is the InChIKey of ethyl 3-oxo-2,5-dihydroindeno[1,2-c]pyridazine-4-carboxylate?
The InChIKey is IQCWJHHQSUDWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-2-19-14(18)11-10-7-8-5-3-4-6-9(8)12(10)15-16-13(11)17/h3-6H,2,7H2,1H3,(H,16,17).
What are the key properties of ethyl 3-oxo-2,5-dihydroindeno[1,2-c]pyridazine-4-carboxylate?
ethyl 3-oxo-2,5-dihydroindeno[1,2-c]pyridazine-4-carboxylate has a molecular weight of 256.26 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-oxo-2,5-dihydroindeno[1,2-c]pyridazine-4-carboxylate is sourced from PubChem (CID 10848653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).