5-[(2Z,4E)-5-(dimethylamino)-2-hydroxypenta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

C13H17NO5 — CID 132549285

IUPAC5-[(2Z,4E)-5-(dimethylamino)-2-hydroxypenta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCN(C)/C=C/C=C(\O)C=C1C(=O)OC(C)(C)OC1=O
InChIInChI=1S/C13H17NO5/c1-13(2)18-11(16)10(12(17)19-13)8-9(15)6-5-7-14(3)4/h5-8,15H,1-4H3/b7-5+,9-6-
InChIKeyXOJRIZUPRYODMW-BEDCHXNXSA-N
MW267.28 g/mol
LogP1.27
Rot. Bonds3

About 5-[(2Z,4E)-5-(dimethylamino)-2-hydroxypenta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

5-[(2Z,4E)-5-(dimethylamino)-2-hydroxypenta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (PubChem CID 132549285) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-[(2Z,4E)-5-(dimethylamino)-2-hydroxypenta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name5-[(2Z,4E)-5-(dimethylamino)-2-hydroxypenta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
PubChem CID132549285
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name5-[(2Z,4E)-5-(dimethylamino)-2-hydroxypenta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCN(C)/C=C/C=C(\O)C=C1C(=O)OC(C)(C)OC1=O
InChIInChI=1S/C13H17NO5/c1-13(2)18-11(16)10(12(17)19-13)8-9(15)6-5-7-14(3)4/h5-8,15H,1-4H3/b7-5+,9-6-
InChIKeyXOJRIZUPRYODMW-BEDCHXNXSA-N
XLogP1.27
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.27
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': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2Z,4E)-5-(dimethylamino)-2-hydroxypenta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The IUPAC name of 5-[(2Z,4E)-5-(dimethylamino)-2-hydroxypenta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (CID 132549285) is 5-[(2Z,4E)-5-(dimethylamino)-2-hydroxypenta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for 5-[(2Z,4E)-5-(dimethylamino)-2-hydroxypenta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The canonical SMILES for 5-[(2Z,4E)-5-(dimethylamino)-2-hydroxypenta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is CN(C)/C=C/C=C(\O)C=C1C(=O)OC(C)(C)OC1=O.
What is the InChIKey of 5-[(2Z,4E)-5-(dimethylamino)-2-hydroxypenta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The InChIKey is XOJRIZUPRYODMW-BEDCHXNXSA-N. The full InChI is InChI=1S/C13H17NO5/c1-13(2)18-11(16)10(12(17)19-13)8-9(15)6-5-7-14(3)4/h5-8,15H,1-4H3/b7-5+,9-6-.
What are the key properties of 5-[(2Z,4E)-5-(dimethylamino)-2-hydroxypenta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
5-[(2Z,4E)-5-(dimethylamino)-2-hydroxypenta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione has a molecular weight of 267.28 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z,4E)-5-(dimethylamino)-2-hydroxypenta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 132549285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).