2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)oxy]ethyl prop-2-enoate

C8H9N3O5 — CID 68786519

IUPAC2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)oxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1nc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C8H9N3O5/c1-2-5(12)15-3-4-16-8-10-6(13)9-7(14)11-8/h2H,1,3-4H2,(H2,9,10,11,13,14)
InChIKeyJTYAQOQTAQMCBO-UHFFFAOYSA-N
MW227.18 g/mol
LogP-1.43
Rot. Bonds5

About 2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)oxy]ethyl prop-2-enoate

2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)oxy]ethyl prop-2-enoate (PubChem CID 68786519) has the molecular formula C8H9N3O5 and a molecular weight of 227.18 g/mol. Its IUPAC name is 2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)oxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)oxy]ethyl prop-2-enoate
PubChem CID68786519
Molecular FormulaC8H9N3O5
Molecular Weight227.18 g/mol
Exact Mass227.05
IUPAC Name2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)oxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1nc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C8H9N3O5/c1-2-5(12)15-3-4-16-8-10-6(13)9-7(14)11-8/h2H,1,3-4H2,(H2,9,10,11,13,14)
InChIKeyJTYAQOQTAQMCBO-UHFFFAOYSA-N
XLogP-1.43
TPSA114.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(7H-purin-8-yloxy)ethyl prop-2-enoate
CID 59502748
3-[4,6-bis(2-prop-2-enoyloxyethoxy)-1,3,5-triazin-2-yl]propyl prop-2-enoate
CID 158251323
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
3-[tris(3-prop-2-enoyloxypropyl)silyl]propyl prop-2-enoate
CID 140784915
2-[[4,6-bis(phenylsulfanyl)-1,3,5-triazin-2-yl]oxy]ethyl prop-2-enoate
CID 121373988
2-quinoxalin-2-yloxyethyl prop-2-enoate
CID 59502779
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326
2-[4-(4-methoxyphenyl)phenoxy]ethyl prop-2-enoate
CID 59181081
2-pyridin-3-yloxyethyl prop-2-enoate
CID 59502785
2-(4-bromophenoxy)ethyl prop-2-enoate
CID 141115524
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)oxy]ethyl prop-2-enoate?
The IUPAC name of 2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)oxy]ethyl prop-2-enoate (CID 68786519) is 2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)oxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)oxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)oxy]ethyl prop-2-enoate is C=CC(=O)OCCOc1nc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)oxy]ethyl prop-2-enoate?
The InChIKey is JTYAQOQTAQMCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O5/c1-2-5(12)15-3-4-16-8-10-6(13)9-7(14)11-8/h2H,1,3-4H2,(H2,9,10,11,13,14).
What are the key properties of 2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)oxy]ethyl prop-2-enoate?
2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)oxy]ethyl prop-2-enoate has a molecular weight of 227.18 g/mol, XLogP of -1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)oxy]ethyl prop-2-enoate is sourced from PubChem (CID 68786519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).