5-[(2E)-2-hydrazinylideneethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

C8H10N2O4 — CID 146432675

IUPAC5-[(2E)-2-hydrazinylideneethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCC1(C)OC(=O)C(=C/C=N/N)C(=O)O1
InChIInChI=1S/C8H10N2O4/c1-8(2)13-6(11)5(3-4-10-9)7(12)14-8/h3-4H,9H2,1-2H3/b10-4+
InChIKeyQPYHSERBWWCXCR-ONNFQVAWSA-N
MW198.18 g/mol
LogP-0.31
Rot. Bonds1

About 5-[(2E)-2-hydrazinylideneethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

5-[(2E)-2-hydrazinylideneethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (PubChem CID 146432675) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 5-[(2E)-2-hydrazinylideneethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name5-[(2E)-2-hydrazinylideneethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
PubChem CID146432675
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name5-[(2E)-2-hydrazinylideneethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCC1(C)OC(=O)C(=C/C=N/N)C(=O)O1
InChIInChI=1S/C8H10N2O4/c1-8(2)13-6(11)5(3-4-10-9)7(12)14-8/h3-4H,9H2,1-2H3/b10-4+
InChIKeyQPYHSERBWWCXCR-ONNFQVAWSA-N
XLogP-0.31
TPSA90.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

2,2-Dimethyl-5-[2-(methylhydrazinylidene)ethylidene]-1,3-dioxane-4,6-dione
CID 58268866
[2-(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)ethylideneamino]azanide;rubidium(1+)
CID 59864458
5-(2-Hydrazinylideneethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 59864459
5-(2-Iminoethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 89095634
2,2-Dimethyl-5-(2-methyliminoethylidene)-1,3-dioxane-4,6-dione
CID 163740312

Frequently Asked Questions

What is the IUPAC name of 5-[(2E)-2-hydrazinylideneethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The IUPAC name of 5-[(2E)-2-hydrazinylideneethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (CID 146432675) is 5-[(2E)-2-hydrazinylideneethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for 5-[(2E)-2-hydrazinylideneethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The canonical SMILES for 5-[(2E)-2-hydrazinylideneethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is CC1(C)OC(=O)C(=C/C=N/N)C(=O)O1.
What is the InChIKey of 5-[(2E)-2-hydrazinylideneethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The InChIKey is QPYHSERBWWCXCR-ONNFQVAWSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-8(2)13-6(11)5(3-4-10-9)7(12)14-8/h3-4H,9H2,1-2H3/b10-4+.
What are the key properties of 5-[(2E)-2-hydrazinylideneethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
5-[(2E)-2-hydrazinylideneethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione has a molecular weight of 198.18 g/mol, XLogP of -0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E)-2-hydrazinylideneethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 146432675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).