(Z)-2-ethyl-4-(3-methoxy-6-oxopyridazin-1-yl)but-2-enoic acid

C11H14N2O4 — CID 105061547

IUPAC(Z)-2-ethyl-4-(3-methoxy-6-oxopyridazin-1-yl)but-2-enoic acid
SMILESCC/C(=C/Cn1nc(OC)ccc1=O)C(=O)O
InChIInChI=1S/C11H14N2O4/c1-3-8(11(15)16)6-7-13-10(14)5-4-9(12-13)17-2/h4-6H,3,7H2,1-2H3,(H,15,16)/b8-6-
InChIKeyMUEAMFMOYZYKTC-VURMDHGXSA-N
MW238.24 g/mol
LogP0.67
Rot. Bonds5

About (Z)-2-ethyl-4-(3-methoxy-6-oxopyridazin-1-yl)but-2-enoic acid

(Z)-2-ethyl-4-(3-methoxy-6-oxopyridazin-1-yl)but-2-enoic acid (PubChem CID 105061547) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is (Z)-2-ethyl-4-(3-methoxy-6-oxopyridazin-1-yl)but-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-ethyl-4-(3-methoxy-6-oxopyridazin-1-yl)but-2-enoic acid
PubChem CID105061547
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name(Z)-2-ethyl-4-(3-methoxy-6-oxopyridazin-1-yl)but-2-enoic acid
SMILESCC/C(=C/Cn1nc(OC)ccc1=O)C(=O)O
InChIInChI=1S/C11H14N2O4/c1-3-8(11(15)16)6-7-13-10(14)5-4-9(12-13)17-2/h4-6H,3,7H2,1-2H3,(H,15,16)/b8-6-
InChIKeyMUEAMFMOYZYKTC-VURMDHGXSA-N
XLogP0.67
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-4-(3-methyl-6-oxopyridazin-1-yl)but-2-enoic acid
CID 77076400
Methyl 2-methyl-4-(3-methyl-6-oxopyridazin-1-yl)but-2-enoate
CID 77076401
2-Ethyl-4-(3-methyl-6-oxopyridazin-1-yl)but-2-enoic acid
CID 77100739
Methyl 2-ethyl-4-(3-methyl-6-oxopyridazin-1-yl)but-2-enoate
CID 77100849
2-Ethyl-4-(6-oxopyridazin-1-yl)but-2-enoic acid
CID 77102290
Methyl 2-ethyl-4-(6-oxopyridazin-1-yl)but-2-enoate
CID 77102291
3-Methyl-6-oxo-1-propylpyridazine-4-carboxylic acid
CID 83698939
(E)-4-(3-methoxy-6-oxopyridazin-1-yl)but-2-enoic acid
CID 105061529
(E)-4-(3-methoxy-6-oxopyridazin-1-yl)-3-methylbut-2-enoic acid
CID 105061553
2-[(3-Methoxy-6-oxopyridazin-1-yl)methyl]prop-2-enoic acid
CID 105061563
methyl (E)-4-(3-methoxy-6-oxopyridazin-1-yl)-2-methylbut-2-enoate
CID 105061564
(Z)-4-(3-methoxy-6-oxopyridazin-1-yl)-2-methylbut-2-enoic acid
CID 105061565

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethyl-4-(3-methoxy-6-oxopyridazin-1-yl)but-2-enoic acid?
The IUPAC name of (Z)-2-ethyl-4-(3-methoxy-6-oxopyridazin-1-yl)but-2-enoic acid (CID 105061547) is (Z)-2-ethyl-4-(3-methoxy-6-oxopyridazin-1-yl)but-2-enoic acid.
What is the SMILES notation for (Z)-2-ethyl-4-(3-methoxy-6-oxopyridazin-1-yl)but-2-enoic acid?
The canonical SMILES for (Z)-2-ethyl-4-(3-methoxy-6-oxopyridazin-1-yl)but-2-enoic acid is CC/C(=C/Cn1nc(OC)ccc1=O)C(=O)O.
What is the InChIKey of (Z)-2-ethyl-4-(3-methoxy-6-oxopyridazin-1-yl)but-2-enoic acid?
The InChIKey is MUEAMFMOYZYKTC-VURMDHGXSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-3-8(11(15)16)6-7-13-10(14)5-4-9(12-13)17-2/h4-6H,3,7H2,1-2H3,(H,15,16)/b8-6-.
What are the key properties of (Z)-2-ethyl-4-(3-methoxy-6-oxopyridazin-1-yl)but-2-enoic acid?
(Z)-2-ethyl-4-(3-methoxy-6-oxopyridazin-1-yl)but-2-enoic acid has a molecular weight of 238.24 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethyl-4-(3-methoxy-6-oxopyridazin-1-yl)but-2-enoic acid is sourced from PubChem (CID 105061547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).