2-(4-bromophenyl)-2-diazo-1-morpholin-4-ylethanone

C12H12BrN3O2 — CID 140783533

IUPAC2-(4-bromophenyl)-2-diazo-1-morpholin-4-ylethanone
SMILES[N-]=[N+]=C(C(=O)N1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C12H12BrN3O2/c13-10-3-1-9(2-4-10)11(15-14)12(17)16-5-7-18-8-6-16/h1-4H,5-8H2
InChIKeyMMJTXJDOFUKRKQ-UHFFFAOYSA-N
MW310.15 g/mol
LogP1.33
Rot. Bonds2

About 2-(4-bromophenyl)-2-diazo-1-morpholin-4-ylethanone

2-(4-bromophenyl)-2-diazo-1-morpholin-4-ylethanone (PubChem CID 140783533) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-diazo-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-diazo-1-morpholin-4-ylethanone
PubChem CID140783533
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name2-(4-bromophenyl)-2-diazo-1-morpholin-4-ylethanone
SMILES[N-]=[N+]=C(C(=O)N1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C12H12BrN3O2/c13-10-3-1-9(2-4-10)11(15-14)12(17)16-5-7-18-8-6-16/h1-4H,5-8H2
InChIKeyMMJTXJDOFUKRKQ-UHFFFAOYSA-N
XLogP1.33
TPSA65.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-3-morpholin-4-ylbut-2-en-1-one
CID 799118
(4-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 20867063
1-(4-bromophenyl)-2-morpholin-4-ylethanone;hydrochloride
CID 24747690
1-(4-fluorophenyl)-2-morpholin-4-ylethane-1,2-dione
CID 82116829
5-bromo-2-chloro-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 17172946
(4-bromo-3-methylphenyl)-morpholin-4-ylmethanone
CID 18960596
(2R)-2-(4-bromophenyl)-2-(hydroxyamino)-1-morpholin-4-ylethanone
CID 125484130
2-(4-bromophenyl)-2-hydroxy-1-morpholin-4-ylethanethione
CID 102364471
methyl 2-[4-(4-bromobenzoyl)morpholin-2-yl]acetate
CID 79806173
lithium 4-(morpholine-4-carbonyl)benzoate
CID 142428468
4-bromo-N-[3-[2-(morpholine-4-carbonyl)anilino]-3-oxopropyl]benzamide
CID 35326995
6-bromopyridine-3-carboxylic acid;(6-bromo-3-pyridinyl)-morpholin-4-ylmethanone
CID 160724807

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-diazo-1-morpholin-4-ylethanone?
The IUPAC name of 2-(4-bromophenyl)-2-diazo-1-morpholin-4-ylethanone (CID 140783533) is 2-(4-bromophenyl)-2-diazo-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(4-bromophenyl)-2-diazo-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(4-bromophenyl)-2-diazo-1-morpholin-4-ylethanone is [N-]=[N+]=C(C(=O)N1CCOCC1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-diazo-1-morpholin-4-ylethanone?
The InChIKey is MMJTXJDOFUKRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c13-10-3-1-9(2-4-10)11(15-14)12(17)16-5-7-18-8-6-16/h1-4H,5-8H2.
What are the key properties of 2-(4-bromophenyl)-2-diazo-1-morpholin-4-ylethanone?
2-(4-bromophenyl)-2-diazo-1-morpholin-4-ylethanone has a molecular weight of 310.15 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-diazo-1-morpholin-4-ylethanone is sourced from PubChem (CID 140783533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).