(E)-3-methoxy-2-(5-methoxy-1-methyl-6-oxopyridazin-4-yl)prop-2-enoic acid

C10H12N2O5 — CID 90386743

IUPAC(E)-3-methoxy-2-(5-methoxy-1-methyl-6-oxopyridazin-4-yl)prop-2-enoic acid
SMILESCO/C=C(/C(=O)O)c1cnn(C)c(=O)c1OC
InChIInChI=1S/C10H12N2O5/c1-12-9(13)8(17-3)6(4-11-12)7(5-16-2)10(14)15/h4-5H,1-3H3,(H,14,15)/b7-5+
InChIKeyYROVYYPMABAUHE-FNORWQNLSA-N
MW240.22 g/mol
LogP-0.14
Rot. Bonds4

About (E)-3-methoxy-2-(5-methoxy-1-methyl-6-oxopyridazin-4-yl)prop-2-enoic acid

(E)-3-methoxy-2-(5-methoxy-1-methyl-6-oxopyridazin-4-yl)prop-2-enoic acid (PubChem CID 90386743) has the molecular formula C10H12N2O5 and a molecular weight of 240.22 g/mol. Its IUPAC name is (E)-3-methoxy-2-(5-methoxy-1-methyl-6-oxopyridazin-4-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-methoxy-2-(5-methoxy-1-methyl-6-oxopyridazin-4-yl)prop-2-enoic acid
PubChem CID90386743
Molecular FormulaC10H12N2O5
Molecular Weight240.22 g/mol
Exact Mass240.07
IUPAC Name(E)-3-methoxy-2-(5-methoxy-1-methyl-6-oxopyridazin-4-yl)prop-2-enoic acid
SMILESCO/C=C(/C(=O)O)c1cnn(C)c(=O)c1OC
InChIInChI=1S/C10H12N2O5/c1-12-9(13)8(17-3)6(4-11-12)7(5-16-2)10(14)15/h4-5H,1-3H3,(H,14,15)/b7-5+
InChIKeyYROVYYPMABAUHE-FNORWQNLSA-N
XLogP-0.14
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methoxy-2-(5-methoxy-1-methyl-6-oxopyridazin-4-yl)prop-2-enoic acid?
The IUPAC name of (E)-3-methoxy-2-(5-methoxy-1-methyl-6-oxopyridazin-4-yl)prop-2-enoic acid (CID 90386743) is (E)-3-methoxy-2-(5-methoxy-1-methyl-6-oxopyridazin-4-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-methoxy-2-(5-methoxy-1-methyl-6-oxopyridazin-4-yl)prop-2-enoic acid?
The canonical SMILES for (E)-3-methoxy-2-(5-methoxy-1-methyl-6-oxopyridazin-4-yl)prop-2-enoic acid is CO/C=C(/C(=O)O)c1cnn(C)c(=O)c1OC.
What is the InChIKey of (E)-3-methoxy-2-(5-methoxy-1-methyl-6-oxopyridazin-4-yl)prop-2-enoic acid?
The InChIKey is YROVYYPMABAUHE-FNORWQNLSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-12-9(13)8(17-3)6(4-11-12)7(5-16-2)10(14)15/h4-5H,1-3H3,(H,14,15)/b7-5+.
What are the key properties of (E)-3-methoxy-2-(5-methoxy-1-methyl-6-oxopyridazin-4-yl)prop-2-enoic acid?
(E)-3-methoxy-2-(5-methoxy-1-methyl-6-oxopyridazin-4-yl)prop-2-enoic acid has a molecular weight of 240.22 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methoxy-2-(5-methoxy-1-methyl-6-oxopyridazin-4-yl)prop-2-enoic acid is sourced from PubChem (CID 90386743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).