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

C9H11N3O3 — CID 89104911

IUPAC1,3-bis(ethenyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione
SMILESC=Cn1c(=O)n(C=C)c(=O)n(CC)c1=O
InChIInChI=1S/C9H11N3O3/c1-4-10-7(13)11(5-2)9(15)12(6-3)8(10)14/h4-5H,1-2,6H2,3H3
InChIKeyOIQSMBOJOJLOFF-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.61
Rot. Bonds3

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

1,3-bis(ethenyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 89104911) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 1,3-bis(ethenyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis(ethenyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione
PubChem CID89104911
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name1,3-bis(ethenyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione
SMILESC=Cn1c(=O)n(C=C)c(=O)n(CC)c1=O
InChIInChI=1S/C9H11N3O3/c1-4-10-7(13)11(5-2)9(15)12(6-3)8(10)14/h4-5H,1-2,6H2,3H3
InChIKeyOIQSMBOJOJLOFF-UHFFFAOYSA-N
XLogP-0.61
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(ethenyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-bis(ethenyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione (CID 89104911) is 1,3-bis(ethenyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-bis(ethenyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis(ethenyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione is C=Cn1c(=O)n(C=C)c(=O)n(CC)c1=O.
What is the InChIKey of 1,3-bis(ethenyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is OIQSMBOJOJLOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-4-10-7(13)11(5-2)9(15)12(6-3)8(10)14/h4-5H,1-2,6H2,3H3.
What are the key properties of 1,3-bis(ethenyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione?
1,3-bis(ethenyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 209.20 g/mol, XLogP of -0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(ethenyl)-5-ethyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 89104911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).