1,3,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione

C13H16N2O3 — CID 3025641

IUPAC1,3,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione
SMILESC=CCC1C(=O)N(CC=C)C(=O)N(CC=C)C1=O
InChIInChI=1S/C13H16N2O3/c1-4-7-10-11(16)14(8-5-2)13(18)15(9-6-3)12(10)17/h4-6,10H,1-3,7-9H2
InChIKeyRFKSGQUJJHKFML-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.34
Rot. Bonds6

About 1,3,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione

1,3,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione (PubChem CID 3025641) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1,3,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione
PubChem CID3025641
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1,3,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione
SMILESC=CCC1C(=O)N(CC=C)C(=O)N(CC=C)C1=O
InChIInChI=1S/C13H16N2O3/c1-4-7-10-11(16)14(8-5-2)13(18)15(9-6-3)12(10)17/h4-6,10H,1-3,7-9H2
InChIKeyRFKSGQUJJHKFML-UHFFFAOYSA-N
XLogP1.34
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,3-Dimethyl-5,5-di-2-propen-1-yl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 12880
Barbituric acid, 1,3-diallyl-5,5-diethyl-
CID 26521
1,5,5-Triallylbarbituric acid
CID 48174
Barbituric acid, 1-allyl-5-ethyl-5-isopropenyl-
CID 48538
Barbituric acid, 1,3,5,5-tetraallyl-
CID 203324
2,4,6(1H,3H,5H)-Pyrimidinetrione, 3-methyl-1,5,5-tri(2-propenyl)-
CID 3065038
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-methyl-3-(2-propenyl)-
CID 3065039
Barbituric acid, 1-butyl-5,5-diallyl-
CID 141563
N,5-Diallylbarbituric acid
CID 3026948
1,3-Diethyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
CID 67258942
1,3-Dibutyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
CID 67259135
1-Ethyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
CID 67259344

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione (CID 3025641) is 1,3,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione is C=CCC1C(=O)N(CC=C)C(=O)N(CC=C)C1=O.
What is the InChIKey of 1,3,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is RFKSGQUJJHKFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-4-7-10-11(16)14(8-5-2)13(18)15(9-6-3)12(10)17/h4-6,10H,1-3,7-9H2.
What are the key properties of 1,3,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione?
1,3,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 248.28 g/mol, XLogP of 1.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 3025641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).