1-[[2,4,6-trioxo-3,5-di(prop-2-enoyloxy)-1,3,5-triazinan-1-yl]oxy]ethyl prop-2-enoate

C14H13N3O10 — CID 140564026

IUPAC1-[[2,4,6-trioxo-3,5-di(prop-2-enoyloxy)-1,3,5-triazinan-1-yl]oxy]ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)On1c(=O)n(OC(=O)C=C)c(=O)n(OC(=O)C=C)c1=O
InChIInChI=1S/C14H13N3O10/c1-5-9(18)24-8(4)25-15-12(21)16(26-10(19)6-2)14(23)17(13(15)22)27-11(20)7-3/h5-8H,1-3H2,4H3
InChIKeyVEHLGWKRBYUHEY-UHFFFAOYSA-N
MW383.27 g/mol
LogP-3.04
Rot. Bonds8

About 1-[[2,4,6-trioxo-3,5-di(prop-2-enoyloxy)-1,3,5-triazinan-1-yl]oxy]ethyl prop-2-enoate

1-[[2,4,6-trioxo-3,5-di(prop-2-enoyloxy)-1,3,5-triazinan-1-yl]oxy]ethyl prop-2-enoate (PubChem CID 140564026) has the molecular formula C14H13N3O10 and a molecular weight of 383.27 g/mol. Its IUPAC name is 1-[[2,4,6-trioxo-3,5-di(prop-2-enoyloxy)-1,3,5-triazinan-1-yl]oxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name1-[[2,4,6-trioxo-3,5-di(prop-2-enoyloxy)-1,3,5-triazinan-1-yl]oxy]ethyl prop-2-enoate
PubChem CID140564026
Molecular FormulaC14H13N3O10
Molecular Weight383.27 g/mol
Exact Mass383.06
IUPAC Name1-[[2,4,6-trioxo-3,5-di(prop-2-enoyloxy)-1,3,5-triazinan-1-yl]oxy]ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)On1c(=O)n(OC(=O)C=C)c(=O)n(OC(=O)C=C)c1=O
InChIInChI=1S/C14H13N3O10/c1-5-9(18)24-8(4)25-15-12(21)16(26-10(19)6-2)14(23)17(13(15)22)27-11(20)7-3/h5-8H,1-3H2,4H3
InChIKeyVEHLGWKRBYUHEY-UHFFFAOYSA-N
XLogP-3.04
TPSA154.13 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.27
LogP ≤ 5-3.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
1-carbonochloridoyloxyethyl prop-2-enoate
CID 56990003
(1-hydroxy-2-methylpropyl) prop-2-enoate
CID 23103213
1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
CID 174987831
1-prop-2-enoyloxyethyl 2-chloropropanoate
CID 89183597
1-(1-prop-2-enoyloxyethylsulfanyloxysulfanyl)ethyl prop-2-enoate
CID 174766355
1-(propylcarbamoyloxy)ethyl prop-2-enoate
CID 155100969
1-dimethylarsanylethyl prop-2-enoate
CID 87979584
1-(1-prop-1-enoxyethoxy)ethyl prop-2-enoate
CID 173109179
[2-methyl-1-[(2-methyl-1-prop-2-enoyloxypropyl)amino]propyl] prop-2-enoate;phosphoric acid
CID 174919478
1-dimethoxyphosphoryloxyethyl prop-2-enoate
CID 21386963
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl prop-2-enoate
CID 154160428

Frequently Asked Questions

What is the IUPAC name of 1-[[2,4,6-trioxo-3,5-di(prop-2-enoyloxy)-1,3,5-triazinan-1-yl]oxy]ethyl prop-2-enoate?
The IUPAC name of 1-[[2,4,6-trioxo-3,5-di(prop-2-enoyloxy)-1,3,5-triazinan-1-yl]oxy]ethyl prop-2-enoate (CID 140564026) is 1-[[2,4,6-trioxo-3,5-di(prop-2-enoyloxy)-1,3,5-triazinan-1-yl]oxy]ethyl prop-2-enoate.
What is the SMILES notation for 1-[[2,4,6-trioxo-3,5-di(prop-2-enoyloxy)-1,3,5-triazinan-1-yl]oxy]ethyl prop-2-enoate?
The canonical SMILES for 1-[[2,4,6-trioxo-3,5-di(prop-2-enoyloxy)-1,3,5-triazinan-1-yl]oxy]ethyl prop-2-enoate is C=CC(=O)OC(C)On1c(=O)n(OC(=O)C=C)c(=O)n(OC(=O)C=C)c1=O.
What is the InChIKey of 1-[[2,4,6-trioxo-3,5-di(prop-2-enoyloxy)-1,3,5-triazinan-1-yl]oxy]ethyl prop-2-enoate?
The InChIKey is VEHLGWKRBYUHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O10/c1-5-9(18)24-8(4)25-15-12(21)16(26-10(19)6-2)14(23)17(13(15)22)27-11(20)7-3/h5-8H,1-3H2,4H3.
What are the key properties of 1-[[2,4,6-trioxo-3,5-di(prop-2-enoyloxy)-1,3,5-triazinan-1-yl]oxy]ethyl prop-2-enoate?
1-[[2,4,6-trioxo-3,5-di(prop-2-enoyloxy)-1,3,5-triazinan-1-yl]oxy]ethyl prop-2-enoate has a molecular weight of 383.27 g/mol, XLogP of -3.04, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,4,6-trioxo-3,5-di(prop-2-enoyloxy)-1,3,5-triazinan-1-yl]oxy]ethyl prop-2-enoate is sourced from PubChem (CID 140564026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).