(3E)-3-[[di(ethyl)amino]methylidene]-6-methyl-1H-pyridine-2,4-dione;yttrium

C11H14N2O2Y-2 — CID 134842496

IUPAC(3E)-3-[[di(ethyl)amino]methylidene]-6-methyl-1H-pyridine-2,4-dione;yttrium
SMILES[CH2-]CN(/C=C1\C(=O)C=C(C)NC1=O)C[CH2-].[Y]
InChIInChI=1S/C11H14N2O2.Y/c1-4-13(5-2)7-9-10(14)6-8(3)12-11(9)15;/h6-7H,1-2,4-5H2,3H3,(H,12,15);/q-2;/b9-7+;
InChIKeyBAETXNFQSZHRRF-BXTVWIJMSA-N
MW295.15 g/mol
LogP0.44
Rot. Bonds3

About (3E)-3-[[di(ethyl)amino]methylidene]-6-methyl-1H-pyridine-2,4-dione;yttrium

(3E)-3-[[di(ethyl)amino]methylidene]-6-methyl-1H-pyridine-2,4-dione;yttrium (PubChem CID 134842496) has the molecular formula C11H14N2O2Y-2 and a molecular weight of 295.15 g/mol. Its IUPAC name is (3E)-3-[[di(ethyl)amino]methylidene]-6-methyl-1H-pyridine-2,4-dione;yttrium.

Molecular Properties

Compound Name(3E)-3-[[di(ethyl)amino]methylidene]-6-methyl-1H-pyridine-2,4-dione;yttrium
PubChem CID134842496
Molecular FormulaC11H14N2O2Y-2
Molecular Weight295.15 g/mol
Exact Mass295.01
IUPAC Name(3E)-3-[[di(ethyl)amino]methylidene]-6-methyl-1H-pyridine-2,4-dione;yttrium
SMILES[CH2-]CN(/C=C1\C(=O)C=C(C)NC1=O)C[CH2-].[Y]
InChIInChI=1S/C11H14N2O2.Y/c1-4-13(5-2)7-9-10(14)6-8(3)12-11(9)15;/h6-7H,1-2,4-5H2,3H3,(H,12,15);/q-2;/b9-7+;
InChIKeyBAETXNFQSZHRRF-BXTVWIJMSA-N
XLogP0.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.15
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[[di(ethyl)amino]methylidene]-6-methyl-1H-pyridine-2,4-dione;yttrium?
The IUPAC name of (3E)-3-[[di(ethyl)amino]methylidene]-6-methyl-1H-pyridine-2,4-dione;yttrium (CID 134842496) is (3E)-3-[[di(ethyl)amino]methylidene]-6-methyl-1H-pyridine-2,4-dione;yttrium.
What is the SMILES notation for (3E)-3-[[di(ethyl)amino]methylidene]-6-methyl-1H-pyridine-2,4-dione;yttrium?
The canonical SMILES for (3E)-3-[[di(ethyl)amino]methylidene]-6-methyl-1H-pyridine-2,4-dione;yttrium is [CH2-]CN(/C=C1\C(=O)C=C(C)NC1=O)C[CH2-].[Y].
What is the InChIKey of (3E)-3-[[di(ethyl)amino]methylidene]-6-methyl-1H-pyridine-2,4-dione;yttrium?
The InChIKey is BAETXNFQSZHRRF-BXTVWIJMSA-N. The full InChI is InChI=1S/C11H14N2O2.Y/c1-4-13(5-2)7-9-10(14)6-8(3)12-11(9)15;/h6-7H,1-2,4-5H2,3H3,(H,12,15);/q-2;/b9-7+;.
What are the key properties of (3E)-3-[[di(ethyl)amino]methylidene]-6-methyl-1H-pyridine-2,4-dione;yttrium?
(3E)-3-[[di(ethyl)amino]methylidene]-6-methyl-1H-pyridine-2,4-dione;yttrium has a molecular weight of 295.15 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[[di(ethyl)amino]methylidene]-6-methyl-1H-pyridine-2,4-dione;yttrium is sourced from PubChem (CID 134842496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).