1,3-bis(but-2-enyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione

C13H19N3O3 — CID 54527016

IUPAC1,3-bis(but-2-enyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione
SMILESCC=CCn1c(=O)n(CC)c(=O)n(CC=CC)c1=O
InChIInChI=1S/C13H19N3O3/c1-4-7-9-15-11(17)14(6-3)12(18)16(13(15)19)10-8-5-2/h4-5,7-8H,6,9-10H2,1-3H3
InChIKeyYTVIXFQCVQAZQV-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.34
Rot. Bonds5

About 1,3-bis(but-2-enyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione

1,3-bis(but-2-enyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 54527016) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1,3-bis(but-2-enyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis(but-2-enyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione
PubChem CID54527016
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1,3-bis(but-2-enyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione
SMILESCC=CCn1c(=O)n(CC)c(=O)n(CC=CC)c1=O
InChIInChI=1S/C13H19N3O3/c1-4-7-9-15-11(17)14(6-3)12(18)16(13(15)19)10-8-5-2/h4-5,7-8H,6,9-10H2,1-3H3
InChIKeyYTVIXFQCVQAZQV-UHFFFAOYSA-N
XLogP0.34
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.34
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(but-2-enyl)-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 54557283
1-but-2-enyl-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione
CID 174837120
1,3-diethyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
CID 23042184
1,3-bis[(E)-but-2-enyl]benzimidazol-2-one
CID 155329218
1-ethyl-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;methane
CID 159762511
1-[(Z)-but-2-enyl]-3-[(Z)-pent-2-enyl]imidazolidin-2-one
CID 162358347
1-ethyl-3,5-bis(isocyanatomethyl)-1,3,5-triazinane-2,4,6-trione;methane
CID 159494877
1-but-2-enylpyrrolidine-2,5-dione
CID 70609957
1-butyl-3-ethyl-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 166726321
1-ethyl-3,5-diheptyl-1,3,5-triazinane-2,4,6-trione;methane
CID 160918747
hexakis(1-ethyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione);1-(2-ethylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 158092891
3-but-2-enyl-5,5-dimethyl-1,3-thiazolidine-2,4-dione
CID 71323453

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(but-2-enyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-bis(but-2-enyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione (CID 54527016) is 1,3-bis(but-2-enyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-bis(but-2-enyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis(but-2-enyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione is CC=CCn1c(=O)n(CC)c(=O)n(CC=CC)c1=O.
What is the InChIKey of 1,3-bis(but-2-enyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is YTVIXFQCVQAZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-7-9-15-11(17)14(6-3)12(18)16(13(15)19)10-8-5-2/h4-5,7-8H,6,9-10H2,1-3H3.
What are the key properties of 1,3-bis(but-2-enyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione?
1,3-bis(but-2-enyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 265.31 g/mol, XLogP of 0.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(but-2-enyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 54527016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).