1,3-diazinane-2,4,6-trione;bis(2-methylprop-2-enoic acid)

C12H16N2O7 — CID 67862946

IUPAC1,3-diazinane-2,4,6-trione;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.O=C1CC(=O)NC(=O)N1
InChIInChI=1S/C4H4N2O3.2C4H6O2/c7-2-1-3(8)6-4(9)5-2;2*1-3(2)4(5)6/h1H2,(H2,5,6,7,8,9);2*1H2,2H3,(H,5,6)
InChIKeyZHPXPHLRHBAKIW-UHFFFAOYSA-N
MW300.27 g/mol
LogP0.04
Rot. Bonds2

About 1,3-diazinane-2,4,6-trione;bis(2-methylprop-2-enoic acid)

1,3-diazinane-2,4,6-trione;bis(2-methylprop-2-enoic acid) (PubChem CID 67862946) has the molecular formula C12H16N2O7 and a molecular weight of 300.27 g/mol. Its IUPAC name is 1,3-diazinane-2,4,6-trione;bis(2-methylprop-2-enoic acid).

Molecular Properties

Compound Name1,3-diazinane-2,4,6-trione;bis(2-methylprop-2-enoic acid)
PubChem CID67862946
Molecular FormulaC12H16N2O7
Molecular Weight300.27 g/mol
Exact Mass300.10
IUPAC Name1,3-diazinane-2,4,6-trione;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.O=C1CC(=O)NC(=O)N1
InChIInChI=1S/C4H4N2O3.2C4H6O2/c7-2-1-3(8)6-4(9)5-2;2*1-3(2)4(5)6/h1H2,(H2,5,6,7,8,9);2*1H2,2H3,(H,5,6)
InChIKeyZHPXPHLRHBAKIW-UHFFFAOYSA-N
XLogP0.04
TPSA149.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 50.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-diazinane-2,4,6-trione;bis(2-methylprop-2-enoic acid)?
The IUPAC name of 1,3-diazinane-2,4,6-trione;bis(2-methylprop-2-enoic acid) (CID 67862946) is 1,3-diazinane-2,4,6-trione;bis(2-methylprop-2-enoic acid).
What is the SMILES notation for 1,3-diazinane-2,4,6-trione;bis(2-methylprop-2-enoic acid)?
The canonical SMILES for 1,3-diazinane-2,4,6-trione;bis(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.O=C1CC(=O)NC(=O)N1.
What is the InChIKey of 1,3-diazinane-2,4,6-trione;bis(2-methylprop-2-enoic acid)?
The InChIKey is ZHPXPHLRHBAKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O3.2C4H6O2/c7-2-1-3(8)6-4(9)5-2;2*1-3(2)4(5)6/h1H2,(H2,5,6,7,8,9);2*1H2,2H3,(H,5,6).
What are the key properties of 1,3-diazinane-2,4,6-trione;bis(2-methylprop-2-enoic acid)?
1,3-diazinane-2,4,6-trione;bis(2-methylprop-2-enoic acid) has a molecular weight of 300.27 g/mol, XLogP of 0.04, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diazinane-2,4,6-trione;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 67862946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).