ethyl (E)-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate

C14H19N3O4 — CID 114393889

IUPACethyl (E)-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate
SMILESCCOC(=O)/C=C/Cn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C14H19N3O4/c1-2-21-14(19)4-3-5-17-13(18)10-12(11-15-17)16-6-8-20-9-7-16/h3-4,10-11H,2,5-9H2,1H3/b4-3+
InChIKeyFSNBFRCLJJMXJF-ONEGZZNKSA-N
MW293.32 g/mol
LogP0.20
Rot. Bonds5

About ethyl (E)-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate

ethyl (E)-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate (PubChem CID 114393889) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is ethyl (E)-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate.

Molecular Properties

Compound Nameethyl (E)-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate
PubChem CID114393889
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Nameethyl (E)-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate
SMILESCCOC(=O)/C=C/Cn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C14H19N3O4/c1-2-21-14(19)4-3-5-17-13(18)10-12(11-15-17)16-6-8-20-9-7-16/h3-4,10-11H,2,5-9H2,1H3/b4-3+
InChIKeyFSNBFRCLJJMXJF-ONEGZZNKSA-N
XLogP0.20
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl (E)-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate with MolForge

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Related Compounds

ethyl (E)-4-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)but-2-enoate
CID 114393911
2-(3,3-dimethyl-2-oxobutyl)-5-morpholin-4-ylpyridazin-3-one
CID 114396109
5-morpholin-4-yl-2-(2-oxopropyl)pyridazin-3-one
CID 1479795
(E)-4-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]but-2-enoic acid
CID 114394128
2-(6-hydroxyhexyl)-5-morpholin-4-ylpyridazin-3-one
CID 107705269
ethyl 3-(4-morpholin-4-ylphenyl)prop-2-enoate
CID 134129593
2-(3-aminopropyl)-5-morpholin-4-ylpyridazin-3-one
CID 114393701
2-[2-(ethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one
CID 114394647
5-(4-morpholin-4-yl-6-oxopyridazin-1-yl)pentanethioamide
CID 114395789
5-morpholin-4-yl-2-(5-sulfanylpentyl)pyridazin-3-one
CID 114398871
ethyl (E)-4-(1,4-oxazepan-4-yl)but-2-enoate
CID 80549639
2-[2-(cyclopropylmethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one
CID 114397506

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate?
The IUPAC name of ethyl (E)-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate (CID 114393889) is ethyl (E)-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate.
What is the SMILES notation for ethyl (E)-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate?
The canonical SMILES for ethyl (E)-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate is CCOC(=O)/C=C/Cn1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of ethyl (E)-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate?
The InChIKey is FSNBFRCLJJMXJF-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-21-14(19)4-3-5-17-13(18)10-12(11-15-17)16-6-8-20-9-7-16/h3-4,10-11H,2,5-9H2,1H3/b4-3+.
What are the key properties of ethyl (E)-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate?
ethyl (E)-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate has a molecular weight of 293.32 g/mol, XLogP of 0.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-(4-morpholin-4-yl-6-oxopyridazin-1-yl)but-2-enoate is sourced from PubChem (CID 114393889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).