1-(3-bromophenyl)diazinan-3-one

C10H11BrN2O — CID 15056543

IUPAC1-(3-bromophenyl)diazinan-3-one
SMILESO=C1CCCN(c2cccc(Br)c2)N1
InChIInChI=1S/C10H11BrN2O/c11-8-3-1-4-9(7-8)13-6-2-5-10(14)12-13/h1,3-4,7H,2,5-6H2,(H,12,14)
InChIKeyXBMAAMQCUADYNC-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.08
Rot. Bonds1

About 1-(3-bromophenyl)diazinan-3-one

1-(3-bromophenyl)diazinan-3-one (PubChem CID 15056543) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 1-(3-bromophenyl)diazinan-3-one.

Molecular Properties

Compound Name1-(3-bromophenyl)diazinan-3-one
PubChem CID15056543
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name1-(3-bromophenyl)diazinan-3-one
SMILESO=C1CCCN(c2cccc(Br)c2)N1
InChIInChI=1S/C10H11BrN2O/c11-8-3-1-4-9(7-8)13-6-2-5-10(14)12-13/h1,3-4,7H,2,5-6H2,(H,12,14)
InChIKeyXBMAAMQCUADYNC-UHFFFAOYSA-N
XLogP2.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromophenyl)diazinan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)diazinan-3-one?
The IUPAC name of 1-(3-bromophenyl)diazinan-3-one (CID 15056543) is 1-(3-bromophenyl)diazinan-3-one.
What is the SMILES notation for 1-(3-bromophenyl)diazinan-3-one?
The canonical SMILES for 1-(3-bromophenyl)diazinan-3-one is O=C1CCCN(c2cccc(Br)c2)N1.
What is the InChIKey of 1-(3-bromophenyl)diazinan-3-one?
The InChIKey is XBMAAMQCUADYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c11-8-3-1-4-9(7-8)13-6-2-5-10(14)12-13/h1,3-4,7H,2,5-6H2,(H,12,14).
What are the key properties of 1-(3-bromophenyl)diazinan-3-one?
1-(3-bromophenyl)diazinan-3-one has a molecular weight of 255.11 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)diazinan-3-one is sourced from PubChem (CID 15056543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).