4-(2-bromo-4-nitrophenyl)morpholin-3-one

C10H9BrN2O4 — CID 165482133

IUPAC4-(2-bromo-4-nitrophenyl)morpholin-3-one
SMILESO=C1COCCN1c1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C10H9BrN2O4/c11-8-5-7(13(15)16)1-2-9(8)12-3-4-17-6-10(12)14/h1-2,5H,3-4,6H2
InChIKeyYFJOJEPQYRFPBO-UHFFFAOYSA-N
MW301.10 g/mol
LogP1.72
Rot. Bonds2

About 4-(2-bromo-4-nitrophenyl)morpholin-3-one

4-(2-bromo-4-nitrophenyl)morpholin-3-one (PubChem CID 165482133) has the molecular formula C10H9BrN2O4 and a molecular weight of 301.10 g/mol. Its IUPAC name is 4-(2-bromo-4-nitrophenyl)morpholin-3-one.

Molecular Properties

Compound Name4-(2-bromo-4-nitrophenyl)morpholin-3-one
PubChem CID165482133
Molecular FormulaC10H9BrN2O4
Molecular Weight301.10 g/mol
Exact Mass299.97
IUPAC Name4-(2-bromo-4-nitrophenyl)morpholin-3-one
SMILESO=C1COCCN1c1ccc([N+](=O)[O-])cc1Br
InChIInChI=1S/C10H9BrN2O4/c11-8-5-7(13(15)16)1-2-9(8)12-3-4-17-6-10(12)14/h1-2,5H,3-4,6H2
InChIKeyYFJOJEPQYRFPBO-UHFFFAOYSA-N
XLogP1.72
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.10
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-bromo-4-nitrophenyl)morpholin-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

Related Compounds

4-(2-chloro-4-nitrophenyl)morpholin-3-one
CID 69051891
4-(2-bromo-4-chlorophenyl)morpholin-3-one
CID 130066570
4-[3-(fluoromethyl)-5-nitrophenyl]morpholin-3-one
CID 122576873
4-(3-amino-4-nitrophenyl)morpholin-3-one
CID 66869728
4-[4-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]morpholin-3-one
CID 137092270
(1R,2R,6R,7R)-4-(2-bromo-4-nitrophenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 100868867
4-(4-methyl-3-nitrophenyl)morpholin-3-one
CID 165481709
(1R,2S,6S,7R)-4-(2-bromo-4-nitrophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98070333
1-(2-bromo-4-nitrophenyl)azetidin-3-amine
CID 65250099
2-morpholin-4-yl-5-nitrobenzaldehyde
CID 2794872
3-fluoro-4-morpholin-4-ylaniline;4-(2-fluoro-4-nitrophenyl)morpholine
CID 69365394
N-methyl-2-morpholin-4-yl-5-nitroaniline
CID 174765763

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-nitrophenyl)morpholin-3-one?
The IUPAC name of 4-(2-bromo-4-nitrophenyl)morpholin-3-one (CID 165482133) is 4-(2-bromo-4-nitrophenyl)morpholin-3-one.
What is the SMILES notation for 4-(2-bromo-4-nitrophenyl)morpholin-3-one?
The canonical SMILES for 4-(2-bromo-4-nitrophenyl)morpholin-3-one is O=C1COCCN1c1ccc([N+](=O)[O-])cc1Br.
What is the InChIKey of 4-(2-bromo-4-nitrophenyl)morpholin-3-one?
The InChIKey is YFJOJEPQYRFPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O4/c11-8-5-7(13(15)16)1-2-9(8)12-3-4-17-6-10(12)14/h1-2,5H,3-4,6H2.
What are the key properties of 4-(2-bromo-4-nitrophenyl)morpholin-3-one?
4-(2-bromo-4-nitrophenyl)morpholin-3-one has a molecular weight of 301.10 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-nitrophenyl)morpholin-3-one is sourced from PubChem (CID 165482133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).