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

C15H21NO5 — CID 102531848

IUPAC5-[(2Z,4E)-5-(diethylamino)-2-hydroxypenta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCCN(/C=C/C=C(\O)C=C1C(=O)OC(C)(C)OC1=O)CC
InChIInChI=1S/C15H21NO5/c1-5-16(6-2)9-7-8-11(17)10-12-13(18)20-15(3,4)21-14(12)19/h7-10,17H,5-6H2,1-4H3/b9-7+,11-8-
InChIKeyPVJSCEGNYIMYRA-BGZVTZOUSA-N
MW295.33 g/mol
LogP2.05
Rot. Bonds5

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

5-[(2Z,4E)-5-(diethylamino)-2-hydroxypenta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (PubChem CID 102531848) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is 5-[(2Z,4E)-5-(diethylamino)-2-hydroxypenta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name5-[(2Z,4E)-5-(diethylamino)-2-hydroxypenta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
PubChem CID102531848
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name5-[(2Z,4E)-5-(diethylamino)-2-hydroxypenta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCCN(/C=C/C=C(\O)C=C1C(=O)OC(C)(C)OC1=O)CC
InChIInChI=1S/C15H21NO5/c1-5-16(6-2)9-7-8-11(17)10-12-13(18)20-15(3,4)21-14(12)19/h7-10,17H,5-6H2,1-4H3/b9-7+,11-8-
InChIKeyPVJSCEGNYIMYRA-BGZVTZOUSA-N
XLogP2.05
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.05
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': '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-(diethylamino)-2-hydroxypenta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The IUPAC name of 5-[(2Z,4E)-5-(diethylamino)-2-hydroxypenta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (CID 102531848) is 5-[(2Z,4E)-5-(diethylamino)-2-hydroxypenta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for 5-[(2Z,4E)-5-(diethylamino)-2-hydroxypenta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The canonical SMILES for 5-[(2Z,4E)-5-(diethylamino)-2-hydroxypenta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is CCN(/C=C/C=C(\O)C=C1C(=O)OC(C)(C)OC1=O)CC.
What is the InChIKey of 5-[(2Z,4E)-5-(diethylamino)-2-hydroxypenta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The InChIKey is PVJSCEGNYIMYRA-BGZVTZOUSA-N. The full InChI is InChI=1S/C15H21NO5/c1-5-16(6-2)9-7-8-11(17)10-12-13(18)20-15(3,4)21-14(12)19/h7-10,17H,5-6H2,1-4H3/b9-7+,11-8-.
What are the key properties of 5-[(2Z,4E)-5-(diethylamino)-2-hydroxypenta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
5-[(2Z,4E)-5-(diethylamino)-2-hydroxypenta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione has a molecular weight of 295.33 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z,4E)-5-(diethylamino)-2-hydroxypenta-2,4-dienylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 102531848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).