6-methylidene-1,3-bis(2-methylprop-2-enyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4-dione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

C27H36N6O6 — CID 174226732

IUPAC6-methylidene-1,3-bis(2-methylprop-2-enyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4-dione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=C(C)CN1C(=C)N(CC(C)=O)C(=O)N(CC(=C)C)C1=O.C=CCn1c(=O)n(CC=C)c(=O)n(CC=C)c1=O
InChIInChI=1S/C15H21N3O3.C12H15N3O3/c1-10(2)7-16-13(6)17(9-12(5)19)15(21)18(14(16)20)8-11(3)4;1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h1,3,6-9H2,2,4-5H3;4-6H,1-3,7-9H2
InChIKeyFZLCOYPCRMOCFJ-UHFFFAOYSA-N
MW540.62 g/mol
LogP2.09
Rot. Bonds12

About 6-methylidene-1,3-bis(2-methylprop-2-enyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4-dione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

6-methylidene-1,3-bis(2-methylprop-2-enyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4-dione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 174226732) has the molecular formula C27H36N6O6 and a molecular weight of 540.62 g/mol. Its IUPAC name is 6-methylidene-1,3-bis(2-methylprop-2-enyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4-dione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name6-methylidene-1,3-bis(2-methylprop-2-enyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4-dione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID174226732
Molecular FormulaC27H36N6O6
Molecular Weight540.62 g/mol
Exact Mass540.27
IUPAC Name6-methylidene-1,3-bis(2-methylprop-2-enyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4-dione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=C(C)CN1C(=C)N(CC(C)=O)C(=O)N(CC(=C)C)C1=O.C=CCn1c(=O)n(CC=C)c(=O)n(CC=C)c1=O
InChIInChI=1S/C15H21N3O3.C12H15N3O3/c1-10(2)7-16-13(6)17(9-12(5)19)15(21)18(14(16)20)8-11(3)4;1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h1,3,6-9H2,2,4-5H3;4-6H,1-3,7-9H2
InChIKeyFZLCOYPCRMOCFJ-UHFFFAOYSA-N
XLogP2.09
TPSA126.93 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.62
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-methylidene-1,3-bis(2-methylprop-2-enyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4-dione
CID 134249360
1,3-diethyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
CID 23042184
1-(2-hydroxypropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 70008029
1,3-bis(prop-2-enyl)-1,3-diazetidine-2,4-dione
CID 15620660
1-(fluoromethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 176847513
1-[2-hydroxy-3-[3-[2-hydroxy-3-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]propyl]-2,4,6-trioxo-5-prop-2-enyl-1,3,5-triazinan-1-yl]propyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 59348433
3,4-bis(ethenyl)-1-(2-oxopropyl)pyrrole-2,5-dione
CID 144985941
1-butyl-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 12612565
3-but-3-enyl-6-methylidene-1,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4-dione
CID 143077874
N-pentyl-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide
CID 78815070
1-[(2-methyloxiran-2-yl)methyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 20512049
1-ethyl-3-methyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione;methane
CID 159762511

Frequently Asked Questions

What is the IUPAC name of 6-methylidene-1,3-bis(2-methylprop-2-enyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4-dione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 6-methylidene-1,3-bis(2-methylprop-2-enyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4-dione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (CID 174226732) is 6-methylidene-1,3-bis(2-methylprop-2-enyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4-dione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 6-methylidene-1,3-bis(2-methylprop-2-enyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4-dione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 6-methylidene-1,3-bis(2-methylprop-2-enyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4-dione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is C=C(C)CN1C(=C)N(CC(C)=O)C(=O)N(CC(=C)C)C1=O.C=CCn1c(=O)n(CC=C)c(=O)n(CC=C)c1=O.
What is the InChIKey of 6-methylidene-1,3-bis(2-methylprop-2-enyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4-dione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is FZLCOYPCRMOCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3.C12H15N3O3/c1-10(2)7-16-13(6)17(9-12(5)19)15(21)18(14(16)20)8-11(3)4;1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h1,3,6-9H2,2,4-5H3;4-6H,1-3,7-9H2.
What are the key properties of 6-methylidene-1,3-bis(2-methylprop-2-enyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4-dione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
6-methylidene-1,3-bis(2-methylprop-2-enyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4-dione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 540.62 g/mol, XLogP of 2.09, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-1,3-bis(2-methylprop-2-enyl)-5-(2-oxopropyl)-1,3,5-triazinane-2,4-dione;1,3,5-tris(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 174226732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).