1-(2-hydroxyethyl)-3,5-bis(2-prop-2-enoxyethyl)-1,3,5-triazinane-2,4,6-trione

C15H23N3O6 — CID 23024182

IUPAC1-(2-hydroxyethyl)-3,5-bis(2-prop-2-enoxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCOCCn1c(=O)n(CCO)c(=O)n(CCOCC=C)c1=O
InChIInChI=1S/C15H23N3O6/c1-3-9-23-11-6-17-13(20)16(5-8-19)14(21)18(15(17)22)7-12-24-10-4-2/h3-4,19H,1-2,5-12H2
InChIKeyRATDPFKVNIVSND-UHFFFAOYSA-N
MW341.36 g/mol
LogP-1.43
Rot. Bonds12

About 1-(2-hydroxyethyl)-3,5-bis(2-prop-2-enoxyethyl)-1,3,5-triazinane-2,4,6-trione

1-(2-hydroxyethyl)-3,5-bis(2-prop-2-enoxyethyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 23024182) has the molecular formula C15H23N3O6 and a molecular weight of 341.36 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3,5-bis(2-prop-2-enoxyethyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3,5-bis(2-prop-2-enoxyethyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID23024182
Molecular FormulaC15H23N3O6
Molecular Weight341.36 g/mol
Exact Mass341.16
IUPAC Name1-(2-hydroxyethyl)-3,5-bis(2-prop-2-enoxyethyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCOCCn1c(=O)n(CCO)c(=O)n(CCOCC=C)c1=O
InChIInChI=1S/C15H23N3O6/c1-3-9-23-11-6-17-13(20)16(5-8-19)14(21)18(15(17)22)7-12-24-10-4-2/h3-4,19H,1-2,5-12H2
InChIKeyRATDPFKVNIVSND-UHFFFAOYSA-N
XLogP-1.43
TPSA104.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 5-1.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3,5-bis(2-prop-2-enoxyethyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(2-hydroxyethyl)-3,5-bis(2-prop-2-enoxyethyl)-1,3,5-triazinane-2,4,6-trione (CID 23024182) is 1-(2-hydroxyethyl)-3,5-bis(2-prop-2-enoxyethyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3,5-bis(2-prop-2-enoxyethyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(2-hydroxyethyl)-3,5-bis(2-prop-2-enoxyethyl)-1,3,5-triazinane-2,4,6-trione is C=CCOCCn1c(=O)n(CCO)c(=O)n(CCOCC=C)c1=O.
What is the InChIKey of 1-(2-hydroxyethyl)-3,5-bis(2-prop-2-enoxyethyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is RATDPFKVNIVSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O6/c1-3-9-23-11-6-17-13(20)16(5-8-19)14(21)18(15(17)22)7-12-24-10-4-2/h3-4,19H,1-2,5-12H2.
What are the key properties of 1-(2-hydroxyethyl)-3,5-bis(2-prop-2-enoxyethyl)-1,3,5-triazinane-2,4,6-trione?
1-(2-hydroxyethyl)-3,5-bis(2-prop-2-enoxyethyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 341.36 g/mol, XLogP of -1.43, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3,5-bis(2-prop-2-enoxyethyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 23024182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).