diethyl 2-[2-(1-methyl-4-pyridinylidene)ethylidene]propanedioate;yttrium

C15H19NO4Y — CID 159343897

IUPACdiethyl 2-[2-(1-methyl-4-pyridinylidene)ethylidene]propanedioate;yttrium
SMILESCCOC(=O)C(=CC=C1C=CN(C)C=C1)C(=O)OCC.[Y]
InChIInChI=1S/C15H19NO4.Y/c1-4-19-14(17)13(15(18)20-5-2)7-6-12-8-10-16(3)11-9-12;/h6-11H,4-5H2,1-3H3;
InChIKeyNCGMLFSZKFLUFE-UHFFFAOYSA-N
MW366.23 g/mol
LogP1.94
Rot. Bonds5

About diethyl 2-[2-(1-methyl-4-pyridinylidene)ethylidene]propanedioate;yttrium

diethyl 2-[2-(1-methyl-4-pyridinylidene)ethylidene]propanedioate;yttrium (PubChem CID 159343897) has the molecular formula C15H19NO4Y and a molecular weight of 366.23 g/mol. Its IUPAC name is diethyl 2-[2-(1-methyl-4-pyridinylidene)ethylidene]propanedioate;yttrium.

Molecular Properties

Compound Namediethyl 2-[2-(1-methyl-4-pyridinylidene)ethylidene]propanedioate;yttrium
PubChem CID159343897
Molecular FormulaC15H19NO4Y
Molecular Weight366.23 g/mol
Exact Mass366.04
IUPAC Namediethyl 2-[2-(1-methyl-4-pyridinylidene)ethylidene]propanedioate;yttrium
SMILESCCOC(=O)C(=CC=C1C=CN(C)C=C1)C(=O)OCC.[Y]
InChIInChI=1S/C15H19NO4.Y/c1-4-19-14(17)13(15(18)20-5-2)7-6-12-8-10-16(3)11-9-12;/h6-11H,4-5H2,1-3H3;
InChIKeyNCGMLFSZKFLUFE-UHFFFAOYSA-N
XLogP1.94
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze diethyl 2-[2-(1-methyl-4-pyridinylidene)ethylidene]propanedioate;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl 2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]propanedioate
CID 130327972
diethyl 2-(3-methylbut-2-enylidene)propanedioate
CID 10987948
ethyl (Z)-2-cyano-4-[1-[(2,4-dichlorophenyl)methyl]-4-pyridinylidene]but-2-enoate
CID 18531857
ethyl 2-cyano-4-[1-[(2,4-dichlorophenyl)methyl]-4-pyridinylidene]but-2-enoate
CID 4091905
acetylene;diethyl 2-ethylidenepropanedioate
CID 90822746
diethyl 2-(3-oxopropylidene)propanedioate
CID 24973386
ethyl (E)-2-(4-methylpiperazine-1-carbonyl)but-2-enoate
CID 10466824
diethyl 2-(methoxymethylidene)propanedioate
CID 3016162
diethyl 2-ethylidene-3-oxobutanedioate
CID 123295779
diethyl 2-[[4-[(3-ethoxy-2-ethoxycarbonyl-3-oxoprop-1-enyl)amino]anilino]methylidene]propanedioate
CID 2839461
diethyl 2,5-dihydroxyhexa-2,4-dienedioate
CID 54729640
CID 159370772
CID 159370772

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[2-(1-methyl-4-pyridinylidene)ethylidene]propanedioate;yttrium?
The IUPAC name of diethyl 2-[2-(1-methyl-4-pyridinylidene)ethylidene]propanedioate;yttrium (CID 159343897) is diethyl 2-[2-(1-methyl-4-pyridinylidene)ethylidene]propanedioate;yttrium.
What is the SMILES notation for diethyl 2-[2-(1-methyl-4-pyridinylidene)ethylidene]propanedioate;yttrium?
The canonical SMILES for diethyl 2-[2-(1-methyl-4-pyridinylidene)ethylidene]propanedioate;yttrium is CCOC(=O)C(=CC=C1C=CN(C)C=C1)C(=O)OCC.[Y].
What is the InChIKey of diethyl 2-[2-(1-methyl-4-pyridinylidene)ethylidene]propanedioate;yttrium?
The InChIKey is NCGMLFSZKFLUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4.Y/c1-4-19-14(17)13(15(18)20-5-2)7-6-12-8-10-16(3)11-9-12;/h6-11H,4-5H2,1-3H3;.
What are the key properties of diethyl 2-[2-(1-methyl-4-pyridinylidene)ethylidene]propanedioate;yttrium?
diethyl 2-[2-(1-methyl-4-pyridinylidene)ethylidene]propanedioate;yttrium has a molecular weight of 366.23 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[2-(1-methyl-4-pyridinylidene)ethylidene]propanedioate;yttrium is sourced from PubChem (CID 159343897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).