ethyl 2-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]prop-2-enoate

C14H19N3O4 — CID 114393904

IUPACethyl 2-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]prop-2-enoate
SMILESC=C(Cn1ncc(N2CCOCC2)cc1=O)C(=O)OCC
InChIInChI=1S/C14H19N3O4/c1-3-21-14(19)11(2)10-17-13(18)8-12(9-15-17)16-4-6-20-7-5-16/h8-9H,2-7,10H2,1H3
InChIKeyIMRDFOKDOLQVCN-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.20
Rot. Bonds5

About ethyl 2-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]prop-2-enoate

ethyl 2-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]prop-2-enoate (PubChem CID 114393904) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is ethyl 2-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]prop-2-enoate
PubChem CID114393904
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Nameethyl 2-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]prop-2-enoate
SMILESC=C(Cn1ncc(N2CCOCC2)cc1=O)C(=O)OCC
InChIInChI=1S/C14H19N3O4/c1-3-21-14(19)11(2)10-17-13(18)8-12(9-15-17)16-4-6-20-7-5-16/h8-9H,2-7,10H2,1H3
InChIKeyIMRDFOKDOLQVCN-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]prop-2-enoate (CID 114393904) is ethyl 2-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]prop-2-enoate is C=C(Cn1ncc(N2CCOCC2)cc1=O)C(=O)OCC.
What is the InChIKey of ethyl 2-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]prop-2-enoate?
The InChIKey is IMRDFOKDOLQVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-3-21-14(19)11(2)10-17-13(18)8-12(9-15-17)16-4-6-20-7-5-16/h8-9H,2-7,10H2,1H3.
What are the key properties of ethyl 2-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]prop-2-enoate?
ethyl 2-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]prop-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 2-[(4-morpholin-4-yl-6-oxopyridazin-1-yl)methyl]prop-2-enoate is sourced from PubChem (CID 114393904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).