ethene;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

C14H19N3O3 — CID 143745454

IUPACethene;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=C.C=CCn1c(=O)n(CC=C)c(=O)n(CC=C)c1=O
InChIInChI=1S/C12H15N3O3.C2H4/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17;1-2/h4-6H,1-3,7-9H2;1-2H2
InChIKeyRHXOAXYKQZGRFE-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.53
Rot. Bonds6

About ethene;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

ethene;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 143745454) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethene;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Nameethene;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID143745454
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Nameethene;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=C.C=CCn1c(=O)n(CC=C)c(=O)n(CC=C)c1=O
InChIInChI=1S/C12H15N3O3.C2H4/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17;1-2/h4-6H,1-3,7-9H2;1-2H2
InChIKeyRHXOAXYKQZGRFE-UHFFFAOYSA-N
XLogP0.53
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of ethene;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (CID 143745454) is ethene;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for ethene;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for ethene;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is C=C.C=CCn1c(=O)n(CC=C)c(=O)n(CC=C)c1=O.
What is the InChIKey of ethene;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is RHXOAXYKQZGRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3.C2H4/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17;1-2/h4-6H,1-3,7-9H2;1-2H2.
What are the key properties of ethene;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
ethene;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 277.32 g/mol, XLogP of 0.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 143745454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).