1-bromo-2,3-dimethylbenzene;(2E)-2-hydroxyimino-N-methylacetamide

C11H15BrN2O2 — CID 170622467

IUPAC1-bromo-2,3-dimethylbenzene;(2E)-2-hydroxyimino-N-methylacetamide
SMILESCNC(=O)/C=N/O.Cc1cccc(Br)c1C
InChIInChI=1S/C8H9Br.C3H6N2O2/c1-6-4-3-5-8(9)7(6)2;1-4-3(6)2-5-7/h3-5H,1-2H3;2,7H,1H3,(H,4,6)/b;5-2+
InChIKeyLFONDECJIGKHBN-UPNXXXCKSA-N
MW287.16 g/mol
LogP2.26
Rot. Bonds1

About 1-bromo-2,3-dimethylbenzene;(2E)-2-hydroxyimino-N-methylacetamide

1-bromo-2,3-dimethylbenzene;(2E)-2-hydroxyimino-N-methylacetamide (PubChem CID 170622467) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 1-bromo-2,3-dimethylbenzene;(2E)-2-hydroxyimino-N-methylacetamide.

Molecular Properties

Compound Name1-bromo-2,3-dimethylbenzene;(2E)-2-hydroxyimino-N-methylacetamide
PubChem CID170622467
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name1-bromo-2,3-dimethylbenzene;(2E)-2-hydroxyimino-N-methylacetamide
SMILESCNC(=O)/C=N/O.Cc1cccc(Br)c1C
InChIInChI=1S/C8H9Br.C3H6N2O2/c1-6-4-3-5-8(9)7(6)2;1-4-3(6)2-5-7/h3-5H,1-2H3;2,7H,1H3,(H,4,6)/b;5-2+
InChIKeyLFONDECJIGKHBN-UPNXXXCKSA-N
XLogP2.26
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyimino-N-(2-methylphenyl)acetamide
CID 6399302
1-bromo-2,3-dimethylbenzene;N-ethylethanamine
CID 143866521
(3-bromo-2-chlorophenyl)-(2,3-dimethylphenyl)methanone
CID 114970193
(2Z)-N-(3-bromophenyl)-2-hydroxyiminoacetamide
CID 6401110
(E)-3-(2-bromophenyl)-N-methylprop-2-enamide
CID 47099867
ethane;N,2,3-trimethylbenzamide
CID 178108869
ethane;1,2,3-trimethylbenzene
CID 54068667
benzene;1,2,3-trimethylbenzene
CID 159605245
phosphenous acid;1,2,3-trimethylbenzene
CID 174913168
phosphoric acid;tris(1,2,3-trimethylbenzene)
CID 175926272
3-bromo-2-methylbenzaldehyde;methoxymethane
CID 142299321
(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanone
CID 112694096

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,3-dimethylbenzene;(2E)-2-hydroxyimino-N-methylacetamide?
The IUPAC name of 1-bromo-2,3-dimethylbenzene;(2E)-2-hydroxyimino-N-methylacetamide (CID 170622467) is 1-bromo-2,3-dimethylbenzene;(2E)-2-hydroxyimino-N-methylacetamide.
What is the SMILES notation for 1-bromo-2,3-dimethylbenzene;(2E)-2-hydroxyimino-N-methylacetamide?
The canonical SMILES for 1-bromo-2,3-dimethylbenzene;(2E)-2-hydroxyimino-N-methylacetamide is CNC(=O)/C=N/O.Cc1cccc(Br)c1C.
What is the InChIKey of 1-bromo-2,3-dimethylbenzene;(2E)-2-hydroxyimino-N-methylacetamide?
The InChIKey is LFONDECJIGKHBN-UPNXXXCKSA-N. The full InChI is InChI=1S/C8H9Br.C3H6N2O2/c1-6-4-3-5-8(9)7(6)2;1-4-3(6)2-5-7/h3-5H,1-2H3;2,7H,1H3,(H,4,6)/b;5-2+.
What are the key properties of 1-bromo-2,3-dimethylbenzene;(2E)-2-hydroxyimino-N-methylacetamide?
1-bromo-2,3-dimethylbenzene;(2E)-2-hydroxyimino-N-methylacetamide has a molecular weight of 287.16 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,3-dimethylbenzene;(2E)-2-hydroxyimino-N-methylacetamide is sourced from PubChem (CID 170622467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).