2,2-dimethyl-5-[2-(methylhydrazinylidene)ethylidene]-1,3-dioxane-4,6-dione

C9H12N2O4 — CID 58268866

IUPAC2,2-dimethyl-5-[2-(methylhydrazinylidene)ethylidene]-1,3-dioxane-4,6-dione
SMILESCNN=CC=C1C(=O)OC(C)(C)OC1=O
InChIInChI=1S/C9H12N2O4/c1-9(2)14-7(12)6(8(13)15-9)4-5-11-10-3/h4-5,10H,1-3H3
InChIKeyDETWRPJGZRPQTH-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.05
Rot. Bonds2

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

2,2-dimethyl-5-[2-(methylhydrazinylidene)ethylidene]-1,3-dioxane-4,6-dione (PubChem CID 58268866) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2,2-dimethyl-5-[2-(methylhydrazinylidene)ethylidene]-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name2,2-dimethyl-5-[2-(methylhydrazinylidene)ethylidene]-1,3-dioxane-4,6-dione
PubChem CID58268866
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name2,2-dimethyl-5-[2-(methylhydrazinylidene)ethylidene]-1,3-dioxane-4,6-dione
SMILESCNN=CC=C1C(=O)OC(C)(C)OC1=O
InChIInChI=1S/C9H12N2O4/c1-9(2)14-7(12)6(8(13)15-9)4-5-11-10-3/h4-5,10H,1-3H3
InChIKeyDETWRPJGZRPQTH-UHFFFAOYSA-N
XLogP-0.05
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.05
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[2-(methylhydrazinylidene)ethylidene]-1,3-dioxane-4,6-dione?
The IUPAC name of 2,2-dimethyl-5-[2-(methylhydrazinylidene)ethylidene]-1,3-dioxane-4,6-dione (CID 58268866) is 2,2-dimethyl-5-[2-(methylhydrazinylidene)ethylidene]-1,3-dioxane-4,6-dione.
What is the SMILES notation for 2,2-dimethyl-5-[2-(methylhydrazinylidene)ethylidene]-1,3-dioxane-4,6-dione?
The canonical SMILES for 2,2-dimethyl-5-[2-(methylhydrazinylidene)ethylidene]-1,3-dioxane-4,6-dione is CNN=CC=C1C(=O)OC(C)(C)OC1=O.
What is the InChIKey of 2,2-dimethyl-5-[2-(methylhydrazinylidene)ethylidene]-1,3-dioxane-4,6-dione?
The InChIKey is DETWRPJGZRPQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-9(2)14-7(12)6(8(13)15-9)4-5-11-10-3/h4-5,10H,1-3H3.
What are the key properties of 2,2-dimethyl-5-[2-(methylhydrazinylidene)ethylidene]-1,3-dioxane-4,6-dione?
2,2-dimethyl-5-[2-(methylhydrazinylidene)ethylidene]-1,3-dioxane-4,6-dione has a molecular weight of 212.20 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[2-(methylhydrazinylidene)ethylidene]-1,3-dioxane-4,6-dione is sourced from PubChem (CID 58268866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).