1,3-diazonane-2,4,9-trione;dihydrate

C7H14N2O5 — CID 160784508

IUPAC1,3-diazonane-2,4,9-trione;dihydrate
SMILESO.O.O=C1CCCCC(=O)NC(=O)N1
InChIInChI=1S/C7H10N2O3.2H2O/c10-5-3-1-2-4-6(11)9-7(12)8-5;;/h1-4H2,(H2,8,9,10,11,12);2*1H2
InChIKeyAGBHUVURNQOQHV-UHFFFAOYSA-N
MW206.20 g/mol
LogP-1.74
Rot. Bonds

About 1,3-diazonane-2,4,9-trione;dihydrate

1,3-diazonane-2,4,9-trione;dihydrate (PubChem CID 160784508) has the molecular formula C7H14N2O5 and a molecular weight of 206.20 g/mol. Its IUPAC name is 1,3-diazonane-2,4,9-trione;dihydrate.

Molecular Properties

Compound Name1,3-diazonane-2,4,9-trione;dihydrate
PubChem CID160784508
Molecular FormulaC7H14N2O5
Molecular Weight206.20 g/mol
Exact Mass206.09
IUPAC Name1,3-diazonane-2,4,9-trione;dihydrate
SMILESO.O.O=C1CCCCC(=O)NC(=O)N1
InChIInChI=1S/C7H10N2O3.2H2O/c10-5-3-1-2-4-6(11)9-7(12)8-5;;/h1-4H2,(H2,8,9,10,11,12);2*1H2
InChIKeyAGBHUVURNQOQHV-UHFFFAOYSA-N
XLogP-1.74
TPSA138.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-diazonane-2,4,9-trione;dihydrate?
The IUPAC name of 1,3-diazonane-2,4,9-trione;dihydrate (CID 160784508) is 1,3-diazonane-2,4,9-trione;dihydrate.
What is the SMILES notation for 1,3-diazonane-2,4,9-trione;dihydrate?
The canonical SMILES for 1,3-diazonane-2,4,9-trione;dihydrate is O.O.O=C1CCCCC(=O)NC(=O)N1.
What is the InChIKey of 1,3-diazonane-2,4,9-trione;dihydrate?
The InChIKey is AGBHUVURNQOQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3.2H2O/c10-5-3-1-2-4-6(11)9-7(12)8-5;;/h1-4H2,(H2,8,9,10,11,12);2*1H2.
What are the key properties of 1,3-diazonane-2,4,9-trione;dihydrate?
1,3-diazonane-2,4,9-trione;dihydrate has a molecular weight of 206.20 g/mol, XLogP of -1.74, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diazonane-2,4,9-trione;dihydrate is sourced from PubChem (CID 160784508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).