1-(3-phenylprop-2-enyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

C18H19N3O3 — CID 175517737

IUPAC1-(3-phenylprop-2-enyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(CC=Cc2ccccc2)c1=O
InChIInChI=1S/C18H19N3O3/c1-3-12-19-16(22)20(13-4-2)18(24)21(17(19)23)14-8-11-15-9-6-5-7-10-15/h3-11H,1-2,12-14H2
InChIKeyIRYKBSDRJUDEGN-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.26
Rot. Bonds7

About 1-(3-phenylprop-2-enyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

1-(3-phenylprop-2-enyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 175517737) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-(3-phenylprop-2-enyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(3-phenylprop-2-enyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID175517737
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name1-(3-phenylprop-2-enyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(CC=Cc2ccccc2)c1=O
InChIInChI=1S/C18H19N3O3/c1-3-12-19-16(22)20(13-4-2)18(24)21(17(19)23)14-8-11-15-9-6-5-7-10-15/h3-11H,1-2,12-14H2
InChIKeyIRYKBSDRJUDEGN-UHFFFAOYSA-N
XLogP1.26
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(prop-2-enyl)-5-(triphenylsilylmethyl)-1,3,5-triazinane-2,4,6-trione
CID 153322113
1-(10-diphenylphosphanyldecyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 15848110
1-[(E)-3-phenylprop-2-enyl]pyridin-4-one
CID 116622263
[(E)-3-prop-2-enylsulfanylprop-1-enyl]benzene
CID 15189428
5-methyl-4-phenyl-3-[(E)-3-phenylprop-2-enyl]-1,3-thiazol-2-one
CID 51132299
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
1-(fluoromethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 176847513
1,3-diethyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
CID 23042184
(3Z,6Z)-3,6-dibenzylidene-1-prop-2-enylpiperazine-2,5-dione
CID 132838135
1-[(E)-3-phenylprop-2-enyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 7975819
3-(4-fluorophenyl)-5-(3-phenylprop-2-enylsulfanyl)-4-prop-2-enyl-1,2,4-triazole
CID 4893758
[(E)-3-but-3-enylsulfanylprop-1-enyl]benzene
CID 89232811

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylprop-2-enyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(3-phenylprop-2-enyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (CID 175517737) is 1-(3-phenylprop-2-enyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(3-phenylprop-2-enyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(3-phenylprop-2-enyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is C=CCn1c(=O)n(CC=C)c(=O)n(CC=Cc2ccccc2)c1=O.
What is the InChIKey of 1-(3-phenylprop-2-enyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is IRYKBSDRJUDEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-3-12-19-16(22)20(13-4-2)18(24)21(17(19)23)14-8-11-15-9-6-5-7-10-15/h3-11H,1-2,12-14H2.
What are the key properties of 1-(3-phenylprop-2-enyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
1-(3-phenylprop-2-enyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 325.37 g/mol, XLogP of 1.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylprop-2-enyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 175517737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).