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

C19H21N3O3 — CID 14468066

IUPAC5-[(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(=C/C=C/C=C/c2ccc(N(C)C)cc2)C(=O)N(C)C1=O
InChIInChI=1S/C19H21N3O3/c1-20(2)15-12-10-14(11-13-15)8-6-5-7-9-16-17(23)21(3)19(25)22(4)18(16)24/h5-13H,1-4H3/b7-5+,8-6+
InChIKeyDBXIQKORNCWQJH-KQQUZDAGSA-N
MW339.40 g/mol
LogP2.30
Rot. Bonds4

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

5-[(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 14468066) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-[(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID14468066
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name5-[(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(=C/C=C/C=C/c2ccc(N(C)C)cc2)C(=O)N(C)C1=O
InChIInChI=1S/C19H21N3O3/c1-20(2)15-12-10-14(11-13-15)8-6-5-7-9-16-17(23)21(3)19(25)22(4)18(16)24/h5-13H,1-4H3/b7-5+,8-6+
InChIKeyDBXIQKORNCWQJH-KQQUZDAGSA-N
XLogP2.30
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.30
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2,5-bis[5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]cyclopentan-1-one
CID 172844935
N,N-dimethyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline
CID 6015156
N,N-dimethyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]aniline
CID 10875699
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
4-[(1E,3E)-4-fluorobuta-1,3-dienyl]-N,N-dimethylaniline
CID 10821548
[(2Z,4E,6E)-7-[4-(dimethylamino)phenyl]hepta-2,4,6-trienylidene]azanium
CID 143521893
4-[(1Z,3E)-4-fluorobuta-1,3-dienyl]-N,N-dimethylaniline
CID 101097546
(3E)-3-[(E)-3-[3-(dimethylamino)phenyl]prop-2-enylidene]-1-methylpiperidine-2,4,6-trione
CID 144530717
4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline
CID 58612965
(4E)-4-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-3-(3-methylphenyl)-1,2-oxazol-5-one
CID 87665432
ethyl (3Z)-3-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-oxoindole-1-carboxylate
CID 122182261
N,N-dimethyl-4-[(1E,3E,5E)-6-(1-methylpyridin-1-ium-4-yl)hexa-1,3,5-trienyl]aniline
CID 20657517

Frequently Asked Questions

What is the IUPAC name of 5-[(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 14468066) is 5-[(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CN1C(=O)C(=C/C=C/C=C/c2ccc(N(C)C)cc2)C(=O)N(C)C1=O.
What is the InChIKey of 5-[(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is DBXIQKORNCWQJH-KQQUZDAGSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-20(2)15-12-10-14(11-13-15)8-6-5-7-9-16-17(23)21(3)19(25)22(4)18(16)24/h5-13H,1-4H3/b7-5+,8-6+.
What are the key properties of 5-[(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-[(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 339.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E,4E)-5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 14468066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).