5-[(E)-3-[bis(2-oxopropyl)amino]prop-2-enylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

C15H19NO6 — CID 58426301

IUPAC5-[(E)-3-[bis(2-oxopropyl)amino]prop-2-enylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCC(=O)CN(/C=C/C=C1C(=O)OC(C)(C)OC1=O)CC(C)=O
InChIInChI=1S/C15H19NO6/c1-10(17)8-16(9-11(2)18)7-5-6-12-13(19)21-15(3,4)22-14(12)20/h5-7H,8-9H2,1-4H3/b7-5+
InChIKeyULKJWAFKVHMVAN-FNORWQNLSA-N
MW309.32 g/mol
LogP0.74
Rot. Bonds6

About 5-[(E)-3-[bis(2-oxopropyl)amino]prop-2-enylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

5-[(E)-3-[bis(2-oxopropyl)amino]prop-2-enylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (PubChem CID 58426301) has the molecular formula C15H19NO6 and a molecular weight of 309.32 g/mol. Its IUPAC name is 5-[(E)-3-[bis(2-oxopropyl)amino]prop-2-enylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name5-[(E)-3-[bis(2-oxopropyl)amino]prop-2-enylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
PubChem CID58426301
Molecular FormulaC15H19NO6
Molecular Weight309.32 g/mol
Exact Mass309.12
IUPAC Name5-[(E)-3-[bis(2-oxopropyl)amino]prop-2-enylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCC(=O)CN(/C=C/C=C1C(=O)OC(C)(C)OC1=O)CC(C)=O
InChIInChI=1S/C15H19NO6/c1-10(17)8-16(9-11(2)18)7-5-6-12-13(19)21-15(3,4)22-14(12)20/h5-7H,8-9H2,1-4H3/b7-5+
InChIKeyULKJWAFKVHMVAN-FNORWQNLSA-N
XLogP0.74
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', '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 5-[(E)-3-[bis(2-oxopropyl)amino]prop-2-enylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The IUPAC name of 5-[(E)-3-[bis(2-oxopropyl)amino]prop-2-enylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (CID 58426301) is 5-[(E)-3-[bis(2-oxopropyl)amino]prop-2-enylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for 5-[(E)-3-[bis(2-oxopropyl)amino]prop-2-enylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The canonical SMILES for 5-[(E)-3-[bis(2-oxopropyl)amino]prop-2-enylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is CC(=O)CN(/C=C/C=C1C(=O)OC(C)(C)OC1=O)CC(C)=O.
What is the InChIKey of 5-[(E)-3-[bis(2-oxopropyl)amino]prop-2-enylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The InChIKey is ULKJWAFKVHMVAN-FNORWQNLSA-N. The full InChI is InChI=1S/C15H19NO6/c1-10(17)8-16(9-11(2)18)7-5-6-12-13(19)21-15(3,4)22-14(12)20/h5-7H,8-9H2,1-4H3/b7-5+.
What are the key properties of 5-[(E)-3-[bis(2-oxopropyl)amino]prop-2-enylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
5-[(E)-3-[bis(2-oxopropyl)amino]prop-2-enylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione has a molecular weight of 309.32 g/mol, XLogP of 0.74, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-[bis(2-oxopropyl)amino]prop-2-enylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 58426301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).