1,1,3,5-tetrakis(prop-2-enyl)-1,3,5-triazinan-1-ium-2,4,6-trione

C15H20N3O3+ — CID 90198430

IUPAC1,1,3,5-tetrakis(prop-2-enyl)-1,3,5-triazinan-1-ium-2,4,6-trione
SMILESC=CCN1C(=O)N(CC=C)C(=O)[N+](CC=C)(CC=C)C1=O
InChIInChI=1S/C15H20N3O3/c1-5-9-16-13(19)17(10-6-2)15(21)18(11-7-3,12-8-4)14(16)20/h5-8H,1-4,9-12H2/q+1
InChIKeyFCNAPRQANPUBQN-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.52
Rot. Bonds8

About 1,1,3,5-tetrakis(prop-2-enyl)-1,3,5-triazinan-1-ium-2,4,6-trione

1,1,3,5-tetrakis(prop-2-enyl)-1,3,5-triazinan-1-ium-2,4,6-trione (PubChem CID 90198430) has the molecular formula C15H20N3O3+ and a molecular weight of 290.34 g/mol. Its IUPAC name is 1,1,3,5-tetrakis(prop-2-enyl)-1,3,5-triazinan-1-ium-2,4,6-trione.

Molecular Properties

Compound Name1,1,3,5-tetrakis(prop-2-enyl)-1,3,5-triazinan-1-ium-2,4,6-trione
PubChem CID90198430
Molecular FormulaC15H20N3O3+
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name1,1,3,5-tetrakis(prop-2-enyl)-1,3,5-triazinan-1-ium-2,4,6-trione
SMILESC=CCN1C(=O)N(CC=C)C(=O)[N+](CC=C)(CC=C)C1=O
InChIInChI=1S/C15H20N3O3/c1-5-9-16-13(19)17(10-6-2)15(21)18(11-7-3,12-8-4)14(16)20/h5-8H,1-4,9-12H2/q+1
InChIKeyFCNAPRQANPUBQN-UHFFFAOYSA-N
XLogP2.52
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(oxiran-2-ylmethyl)-1,5-bis(prop-2-enyl)-1,3,5-triazinan-1-ium-2,4,6-trione
CID 87342161
1,3-bis(prop-2-enyl)-1,3-diazetidine-2,4-dione
CID 15620660
3-but-3-enyl-6-methylidene-1,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4-dione
CID 143077874
1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4-dione
CID 15051391
1-butyl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 89280580
2-methylidene-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 123730959
4,5-dihydroxy-1,3-bis(prop-2-enyl)imidazolidin-2-one
CID 70257866
1,3-diamino-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
CID 139913241
2-[[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]amino]acetic acid
CID 119350297
2-prop-2-enyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 13184973
5,6-dimethyl-2-prop-2-enylisoindole-1,3-dione
CID 102041761
2,5-dimethylidene-1-prop-2-enylpyrrolidine
CID 144985086

Frequently Asked Questions

What is the IUPAC name of 1,1,3,5-tetrakis(prop-2-enyl)-1,3,5-triazinan-1-ium-2,4,6-trione?
The IUPAC name of 1,1,3,5-tetrakis(prop-2-enyl)-1,3,5-triazinan-1-ium-2,4,6-trione (CID 90198430) is 1,1,3,5-tetrakis(prop-2-enyl)-1,3,5-triazinan-1-ium-2,4,6-trione.
What is the SMILES notation for 1,1,3,5-tetrakis(prop-2-enyl)-1,3,5-triazinan-1-ium-2,4,6-trione?
The canonical SMILES for 1,1,3,5-tetrakis(prop-2-enyl)-1,3,5-triazinan-1-ium-2,4,6-trione is C=CCN1C(=O)N(CC=C)C(=O)[N+](CC=C)(CC=C)C1=O.
What is the InChIKey of 1,1,3,5-tetrakis(prop-2-enyl)-1,3,5-triazinan-1-ium-2,4,6-trione?
The InChIKey is FCNAPRQANPUBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N3O3/c1-5-9-16-13(19)17(10-6-2)15(21)18(11-7-3,12-8-4)14(16)20/h5-8H,1-4,9-12H2/q+1.
What are the key properties of 1,1,3,5-tetrakis(prop-2-enyl)-1,3,5-triazinan-1-ium-2,4,6-trione?
1,1,3,5-tetrakis(prop-2-enyl)-1,3,5-triazinan-1-ium-2,4,6-trione has a molecular weight of 290.34 g/mol, XLogP of 2.52, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,5-tetrakis(prop-2-enyl)-1,3,5-triazinan-1-ium-2,4,6-trione is sourced from PubChem (CID 90198430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).