5-[(2E,4E)-5-(diethylamino)penta-2,4-dienylidene]-1,3-diethyl-1,3-diazinane-2,4,6-trione

C17H25N3O3 — CID 101063317

IUPAC5-[(2E,4E)-5-(diethylamino)penta-2,4-dienylidene]-1,3-diethyl-1,3-diazinane-2,4,6-trione
SMILESCCN(/C=C/C=C/C=C1C(=O)N(CC)C(=O)N(CC)C1=O)CC
InChIInChI=1S/C17H25N3O3/c1-5-18(6-2)13-11-9-10-12-14-15(21)19(7-3)17(23)20(8-4)16(14)22/h9-13H,5-8H2,1-4H3/b10-9+,13-11+
InChIKeyDELAACKNSVIXBQ-SNMPHBPQSA-N
MW319.40 g/mol
LogP2.16
Rot. Bonds7

About 5-[(2E,4E)-5-(diethylamino)penta-2,4-dienylidene]-1,3-diethyl-1,3-diazinane-2,4,6-trione

5-[(2E,4E)-5-(diethylamino)penta-2,4-dienylidene]-1,3-diethyl-1,3-diazinane-2,4,6-trione (PubChem CID 101063317) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 5-[(2E,4E)-5-(diethylamino)penta-2,4-dienylidene]-1,3-diethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(2E,4E)-5-(diethylamino)penta-2,4-dienylidene]-1,3-diethyl-1,3-diazinane-2,4,6-trione
PubChem CID101063317
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name5-[(2E,4E)-5-(diethylamino)penta-2,4-dienylidene]-1,3-diethyl-1,3-diazinane-2,4,6-trione
SMILESCCN(/C=C/C=C/C=C1C(=O)N(CC)C(=O)N(CC)C1=O)CC
InChIInChI=1S/C17H25N3O3/c1-5-18(6-2)13-11-9-10-12-14-15(21)19(7-3)17(23)20(8-4)16(14)22/h9-13H,5-8H2,1-4H3/b10-9+,13-11+
InChIKeyDELAACKNSVIXBQ-SNMPHBPQSA-N
XLogP2.16
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2E,4E)-5-(diethylamino)penta-2,4-dienylidene]-1,3-diethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(2E,4E)-5-(diethylamino)penta-2,4-dienylidene]-1,3-diethyl-1,3-diazinane-2,4,6-trione (CID 101063317) is 5-[(2E,4E)-5-(diethylamino)penta-2,4-dienylidene]-1,3-diethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(2E,4E)-5-(diethylamino)penta-2,4-dienylidene]-1,3-diethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(2E,4E)-5-(diethylamino)penta-2,4-dienylidene]-1,3-diethyl-1,3-diazinane-2,4,6-trione is CCN(/C=C/C=C/C=C1C(=O)N(CC)C(=O)N(CC)C1=O)CC.
What is the InChIKey of 5-[(2E,4E)-5-(diethylamino)penta-2,4-dienylidene]-1,3-diethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is DELAACKNSVIXBQ-SNMPHBPQSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-5-18(6-2)13-11-9-10-12-14-15(21)19(7-3)17(23)20(8-4)16(14)22/h9-13H,5-8H2,1-4H3/b10-9+,13-11+.
What are the key properties of 5-[(2E,4E)-5-(diethylamino)penta-2,4-dienylidene]-1,3-diethyl-1,3-diazinane-2,4,6-trione?
5-[(2E,4E)-5-(diethylamino)penta-2,4-dienylidene]-1,3-diethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 319.40 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E,4E)-5-(diethylamino)penta-2,4-dienylidene]-1,3-diethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 101063317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).