5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C17H19N3O3 — CID 14744934

IUPAC5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(=C/C=C/c2ccc(N(C)C)cc2)C(=O)N(C)C1=O
InChIInChI=1S/C17H19N3O3/c1-18(2)13-10-8-12(9-11-13)6-5-7-14-15(21)19(3)17(23)20(4)16(14)22/h5-11H,1-4H3/b6-5+
InChIKeyOMOYVFQIYGSNKR-AATRIKPKSA-N
MW313.36 g/mol
LogP1.74
Rot. Bonds3

About 5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 14744934) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID14744934
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(=C/C=C/c2ccc(N(C)C)cc2)C(=O)N(C)C1=O
InChIInChI=1S/C17H19N3O3/c1-18(2)13-10-8-12(9-11-13)6-5-7-14-15(21)19(3)17(23)20(4)16(14)22/h5-11H,1-4H3/b6-5+
InChIKeyOMOYVFQIYGSNKR-AATRIKPKSA-N
XLogP1.74
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.74
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': 'anil_di_alk_B(251)', '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-[4-(dimethylamino)phenyl]prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 14744934) is 5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CN1C(=O)C(=C/C=C/c2ccc(N(C)C)cc2)C(=O)N(C)C1=O.
What is the InChIKey of 5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is OMOYVFQIYGSNKR-AATRIKPKSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-18(2)13-10-8-12(9-11-13)6-5-7-14-15(21)19(3)17(23)20(4)16(14)22/h5-11H,1-4H3/b6-5+.
What are the key properties of 5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 313.36 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 14744934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).