1-(2-bromophenyl)-1,3-diazinane-2,4,6-trione

C10H7BrN2O3 — CID 112597653

IUPAC1-(2-bromophenyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(c2ccccc2Br)C(=O)N1
InChIInChI=1S/C10H7BrN2O3/c11-6-3-1-2-4-7(6)13-9(15)5-8(14)12-10(13)16/h1-4H,5H2,(H,12,14,16)
InChIKeyYJXHXJPSYOGLFA-UHFFFAOYSA-N
MW283.08 g/mol
LogP1.42
Rot. Bonds1

About 1-(2-bromophenyl)-1,3-diazinane-2,4,6-trione

1-(2-bromophenyl)-1,3-diazinane-2,4,6-trione (PubChem CID 112597653) has the molecular formula C10H7BrN2O3 and a molecular weight of 283.08 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2-bromophenyl)-1,3-diazinane-2,4,6-trione
PubChem CID112597653
Molecular FormulaC10H7BrN2O3
Molecular Weight283.08 g/mol
Exact Mass281.96
IUPAC Name1-(2-bromophenyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(c2ccccc2Br)C(=O)N1
InChIInChI=1S/C10H7BrN2O3/c11-6-3-1-2-4-7(6)13-9(15)5-8(14)12-10(13)16/h1-4H,5H2,(H,12,14,16)
InChIKeyYJXHXJPSYOGLFA-UHFFFAOYSA-N
XLogP1.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.08
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(2-bromophenyl)-1,3-diazinane-2,4,6-trione (CID 112597653) is 1-(2-bromophenyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(2-bromophenyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(2-bromophenyl)-1,3-diazinane-2,4,6-trione is O=C1CC(=O)N(c2ccccc2Br)C(=O)N1.
What is the InChIKey of 1-(2-bromophenyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is YJXHXJPSYOGLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O3/c11-6-3-1-2-4-7(6)13-9(15)5-8(14)12-10(13)16/h1-4H,5H2,(H,12,14,16).
What are the key properties of 1-(2-bromophenyl)-1,3-diazinane-2,4,6-trione?
1-(2-bromophenyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 283.08 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112597653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).