(1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one

C13H16BrN3O2 — CID 5456303

IUPAC(1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one
SMILESCC(=O)/C(=N/Nc1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C13H16BrN3O2/c1-10(18)13(17-6-8-19-9-7-17)16-15-12-4-2-11(14)3-5-12/h2-5,15H,6-9H2,1H3/b16-13-
InChIKeyWIVRFIVOQWZMAW-SSZFMOIBSA-N
MW326.19 g/mol
LogP2.10
Rot. Bonds3

About (1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one

(1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one (PubChem CID 5456303) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is (1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one.

Molecular Properties

Compound Name(1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one
PubChem CID5456303
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC Name(1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one
SMILESCC(=O)/C(=N/Nc1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C13H16BrN3O2/c1-10(18)13(17-6-8-19-9-7-17)16-15-12-4-2-11(14)3-5-12/h2-5,15H,6-9H2,1H3/b16-13-
InChIKeyWIVRFIVOQWZMAW-SSZFMOIBSA-N
XLogP2.10
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-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 (1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one?
The IUPAC name of (1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one (CID 5456303) is (1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one.
What is the SMILES notation for (1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one?
The canonical SMILES for (1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one is CC(=O)/C(=N/Nc1ccc(Br)cc1)N1CCOCC1.
What is the InChIKey of (1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one?
The InChIKey is WIVRFIVOQWZMAW-SSZFMOIBSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c1-10(18)13(17-6-8-19-9-7-17)16-15-12-4-2-11(14)3-5-12/h2-5,15H,6-9H2,1H3/b16-13-.
What are the key properties of (1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one?
(1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one has a molecular weight of 326.19 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(4-bromophenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one is sourced from PubChem (CID 5456303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).