1-(3-bromophenyl)-1,3-diazinane-2,4-dione

C10H9BrN2O2 — CID 79777240

IUPAC1-(3-bromophenyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cccc(Br)c2)C(=O)N1
InChIInChI=1S/C10H9BrN2O2/c11-7-2-1-3-8(6-7)13-5-4-9(14)12-10(13)15/h1-3,6H,4-5H2,(H,12,14,15)
InChIKeyAYGUPHLDAAJIAT-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.90
Rot. Bonds1

About 1-(3-bromophenyl)-1,3-diazinane-2,4-dione

1-(3-bromophenyl)-1,3-diazinane-2,4-dione (PubChem CID 79777240) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(3-bromophenyl)-1,3-diazinane-2,4-dione
PubChem CID79777240
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name1-(3-bromophenyl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cccc(Br)c2)C(=O)N1
InChIInChI=1S/C10H9BrN2O2/c11-7-2-1-3-8(6-7)13-5-4-9(14)12-10(13)15/h1-3,6H,4-5H2,(H,12,14,15)
InChIKeyAYGUPHLDAAJIAT-UHFFFAOYSA-N
XLogP1.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(3-bromophenyl)-1,3-diazinane-2,4-dione (CID 79777240) is 1-(3-bromophenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(3-bromophenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(3-bromophenyl)-1,3-diazinane-2,4-dione is O=C1CCN(c2cccc(Br)c2)C(=O)N1.
What is the InChIKey of 1-(3-bromophenyl)-1,3-diazinane-2,4-dione?
The InChIKey is AYGUPHLDAAJIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c11-7-2-1-3-8(6-7)13-5-4-9(14)12-10(13)15/h1-3,6H,4-5H2,(H,12,14,15).
What are the key properties of 1-(3-bromophenyl)-1,3-diazinane-2,4-dione?
1-(3-bromophenyl)-1,3-diazinane-2,4-dione has a molecular weight of 269.10 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 79777240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).