5-[bis(2-hydroxyethylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

C11H18N2O6 — CID 14783060

IUPAC5-[bis(2-hydroxyethylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCC1(C)OC(=O)C(=C(NCCO)NCCO)C(=O)O1
InChIInChI=1S/C11H18N2O6/c1-11(2)18-9(16)7(10(17)19-11)8(12-3-5-14)13-4-6-15/h12-15H,3-6H2,1-2H3
InChIKeyWMQJYXFFDCVDRY-UHFFFAOYSA-N
MW274.27 g/mol
LogP-1.80
Rot. Bonds6

About 5-[bis(2-hydroxyethylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

5-[bis(2-hydroxyethylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (PubChem CID 14783060) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is 5-[bis(2-hydroxyethylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name5-[bis(2-hydroxyethylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
PubChem CID14783060
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name5-[bis(2-hydroxyethylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCC1(C)OC(=O)C(=C(NCCO)NCCO)C(=O)O1
InChIInChI=1S/C11H18N2O6/c1-11(2)18-9(16)7(10(17)19-11)8(12-3-5-14)13-4-6-15/h12-15H,3-6H2,1-2H3
InChIKeyWMQJYXFFDCVDRY-UHFFFAOYSA-N
XLogP-1.80
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-1.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-N-(2-hydroxyethyl)benzamide
CID 168599154
5-(2-fluoro-1-hydroxyethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 54708039
2,2-dimethyl-5-[(2-sulfanylethylamino)methylidene]-1,3-dioxane-4,6-dione
CID 10681029
4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-4-hydroxybutanoic acid
CID 140546317
5-[(2-aminoethylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 170908327
5-(hydroxymethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 11137577
2,2-dimethyl-5-sulfanylidene-1,3-dioxane-4,6-dione
CID 101415621
2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-N-(2-methoxyethyl)benzamide
CID 17150424
5-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-1-hydroxyethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 54749074
5-[1-(3,4-dimethylphenyl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 44550174
[2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-2-hydroxyethyl] N-tert-butylcarbamate
CID 176729477
2,2-dimethyl-5-[1-(4-methylphenyl)ethylidene]-1,3-dioxane-4,6-dione
CID 71405296

Frequently Asked Questions

What is the IUPAC name of 5-[bis(2-hydroxyethylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The IUPAC name of 5-[bis(2-hydroxyethylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (CID 14783060) is 5-[bis(2-hydroxyethylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for 5-[bis(2-hydroxyethylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The canonical SMILES for 5-[bis(2-hydroxyethylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is CC1(C)OC(=O)C(=C(NCCO)NCCO)C(=O)O1.
What is the InChIKey of 5-[bis(2-hydroxyethylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The InChIKey is WMQJYXFFDCVDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6/c1-11(2)18-9(16)7(10(17)19-11)8(12-3-5-14)13-4-6-15/h12-15H,3-6H2,1-2H3.
What are the key properties of 5-[bis(2-hydroxyethylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
5-[bis(2-hydroxyethylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione has a molecular weight of 274.27 g/mol, XLogP of -1.80, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(2-hydroxyethylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 14783060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).