2-[3-(3-bromophenyl)oxetan-3-yl]acetohydrazide

C11H13BrN2O2 — CID 155597064

IUPAC2-[3-(3-bromophenyl)oxetan-3-yl]acetohydrazide
SMILESNNC(=O)CC1(c2cccc(Br)c2)COC1
InChIInChI=1S/C11H13BrN2O2/c12-9-3-1-2-8(4-9)11(6-16-7-11)5-10(15)14-13/h1-4H,5-7,13H2,(H,14,15)
InChIKeyZMHJPURNKXFVOK-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.10
Rot. Bonds3

About 2-[3-(3-bromophenyl)oxetan-3-yl]acetohydrazide

2-[3-(3-bromophenyl)oxetan-3-yl]acetohydrazide (PubChem CID 155597064) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 2-[3-(3-bromophenyl)oxetan-3-yl]acetohydrazide.

Molecular Properties

Compound Name2-[3-(3-bromophenyl)oxetan-3-yl]acetohydrazide
PubChem CID155597064
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name2-[3-(3-bromophenyl)oxetan-3-yl]acetohydrazide
SMILESNNC(=O)CC1(c2cccc(Br)c2)COC1
InChIInChI=1S/C11H13BrN2O2/c12-9-3-1-2-8(4-9)11(6-16-7-11)5-10(15)14-13/h1-4H,5-7,13H2,(H,14,15)
InChIKeyZMHJPURNKXFVOK-UHFFFAOYSA-N
XLogP1.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[3-(3-bromophenyl)oxetan-3-yl]acetohydrazide 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 2-[3-(3-bromophenyl)oxetan-3-yl]acetohydrazide?
The IUPAC name of 2-[3-(3-bromophenyl)oxetan-3-yl]acetohydrazide (CID 155597064) is 2-[3-(3-bromophenyl)oxetan-3-yl]acetohydrazide.
What is the SMILES notation for 2-[3-(3-bromophenyl)oxetan-3-yl]acetohydrazide?
The canonical SMILES for 2-[3-(3-bromophenyl)oxetan-3-yl]acetohydrazide is NNC(=O)CC1(c2cccc(Br)c2)COC1.
What is the InChIKey of 2-[3-(3-bromophenyl)oxetan-3-yl]acetohydrazide?
The InChIKey is ZMHJPURNKXFVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-9-3-1-2-8(4-9)11(6-16-7-11)5-10(15)14-13/h1-4H,5-7,13H2,(H,14,15).
What are the key properties of 2-[3-(3-bromophenyl)oxetan-3-yl]acetohydrazide?
2-[3-(3-bromophenyl)oxetan-3-yl]acetohydrazide has a molecular weight of 285.14 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-bromophenyl)oxetan-3-yl]acetohydrazide is sourced from PubChem (CID 155597064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).