methyl 3-(4-ethenyl-6-oxopyridazin-1-yl)propanoate

C10H12N2O3 — CID 86244492

IUPACmethyl 3-(4-ethenyl-6-oxopyridazin-1-yl)propanoate
SMILESC=Cc1cnn(CCC(=O)OC)c(=O)c1
InChIInChI=1S/C10H12N2O3/c1-3-8-6-9(13)12(11-7-8)5-4-10(14)15-2/h3,6-7H,1,4-5H2,2H3
InChIKeyZLYZTTFHGPOCFJ-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.45
Rot. Bonds4

About methyl 3-(4-ethenyl-6-oxopyridazin-1-yl)propanoate

methyl 3-(4-ethenyl-6-oxopyridazin-1-yl)propanoate (PubChem CID 86244492) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is methyl 3-(4-ethenyl-6-oxopyridazin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-ethenyl-6-oxopyridazin-1-yl)propanoate
PubChem CID86244492
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Namemethyl 3-(4-ethenyl-6-oxopyridazin-1-yl)propanoate
SMILESC=Cc1cnn(CCC(=O)OC)c(=O)c1
InChIInChI=1S/C10H12N2O3/c1-3-8-6-9(13)12(11-7-8)5-4-10(14)15-2/h3,6-7H,1,4-5H2,2H3
InChIKeyZLYZTTFHGPOCFJ-UHFFFAOYSA-N
XLogP0.45
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;2-[(2E)-2-ethenylpenta-2,4-dienyl]-5-methylpyridazin-3-one
CID 145299053
Methyl 3-(6-oxopyridazin-1-yl)propanoate
CID 62850480
Methyl 2,2-dimethyl-3-(6-oxopyridazin-1-yl)propanoate
CID 79630347
3-(4-Methyl-6-oxopyridazin-1-yl)propanoic acid
CID 84103792
methyl 3-[4-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-oxopyridazin-1-yl]propanoate
CID 101403449
methyl 3-[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]-6-oxopyridazin-1-yl]propanoate
CID 101403450
Methyl 2,2-dimethyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoate
CID 106548398
Methyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate
CID 106548417
Ethyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate
CID 106548438
Methyl 2-methyl-3-(4-methyl-6-oxopyridazin-1-yl)propanoate
CID 106548448
Tert-butyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate
CID 106548453
Methyl 3-(4-methyl-6-oxopyridazin-1-yl)butanoate
CID 106548459

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-ethenyl-6-oxopyridazin-1-yl)propanoate?
The IUPAC name of methyl 3-(4-ethenyl-6-oxopyridazin-1-yl)propanoate (CID 86244492) is methyl 3-(4-ethenyl-6-oxopyridazin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(4-ethenyl-6-oxopyridazin-1-yl)propanoate?
The canonical SMILES for methyl 3-(4-ethenyl-6-oxopyridazin-1-yl)propanoate is C=Cc1cnn(CCC(=O)OC)c(=O)c1.
What is the InChIKey of methyl 3-(4-ethenyl-6-oxopyridazin-1-yl)propanoate?
The InChIKey is ZLYZTTFHGPOCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-3-8-6-9(13)12(11-7-8)5-4-10(14)15-2/h3,6-7H,1,4-5H2,2H3.
What are the key properties of methyl 3-(4-ethenyl-6-oxopyridazin-1-yl)propanoate?
methyl 3-(4-ethenyl-6-oxopyridazin-1-yl)propanoate has a molecular weight of 208.22 g/mol, XLogP of 0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-ethenyl-6-oxopyridazin-1-yl)propanoate is sourced from PubChem (CID 86244492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).