magnesium;benzene;4-methanidylmorpholine;hydrobromide

C11H16BrMgNO — CID 174636849

IUPACmagnesium;benzene;4-methanidylmorpholine;hydrobromide
SMILESBr.[CH2-]N1CCOCC1.[Mg+2].[c-]1ccccc1
InChIInChI=1S/C6H5.C5H10NO.BrH.Mg/c1-2-4-6-5-3-1;1-6-2-4-7-5-3-6;;/h1-5H;1-5H2;1H;/q2*-1;;+2
InChIKeyGYWHULMRYZHUSB-UHFFFAOYSA-N
MW282.46 g/mol
LogP1.79
Rot. Bonds

About magnesium;benzene;4-methanidylmorpholine;hydrobromide

magnesium;benzene;4-methanidylmorpholine;hydrobromide (PubChem CID 174636849) has the molecular formula C11H16BrMgNO and a molecular weight of 282.46 g/mol. Its IUPAC name is magnesium;benzene;4-methanidylmorpholine;hydrobromide.

Molecular Properties

Compound Namemagnesium;benzene;4-methanidylmorpholine;hydrobromide
PubChem CID174636849
Molecular FormulaC11H16BrMgNO
Molecular Weight282.46 g/mol
Exact Mass281.03
IUPAC Namemagnesium;benzene;4-methanidylmorpholine;hydrobromide
SMILESBr.[CH2-]N1CCOCC1.[Mg+2].[c-]1ccccc1
InChIInChI=1S/C6H5.C5H10NO.BrH.Mg/c1-2-4-6-5-3-1;1-6-2-4-7-5-3-6;;/h1-5H;1-5H2;1H;/q2*-1;;+2
InChIKeyGYWHULMRYZHUSB-UHFFFAOYSA-N
XLogP1.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N,N-diallylmorpholinium bromide
CID 11831774
4-(Morpholin-1-yl)phenylmagnesium bromide, 0.25 M in THF
CID 85865892
4,4'-(Hexa-2,4-diene-1,6-diyl)bismorpholine
CID 44154310
Morpholine,4,4'-(2,4-hexadiene-1,6-diyl)bis-
CID 53425931
Benzene;4-ethylmorpholine;oxocobalt
CID 89353225
4-[(2Z)-5-methylhexa-2,4-dienyl]morpholine
CID 137427636
(Z)-but-2-ene;ethane;4-methylmorpholine
CID 143573072
ethane;4-ethylmorpholine;(3Z,5Z)-hepta-1,3,5-triene
CID 144798726
Benzene;morpholin-4-ide;ruthenium(2+)
CID 173787566
ZINC;benzene;morpholin-4-ide;hydrochloride
CID 177743847
4-[(2E,4E)-hexa-2,4-dienyl]morpholine
CID 12530643
ZINC;benzene;morpholin-4-ide
CID 20511444

Frequently Asked Questions

What is the IUPAC name of magnesium;benzene;4-methanidylmorpholine;hydrobromide?
The IUPAC name of magnesium;benzene;4-methanidylmorpholine;hydrobromide (CID 174636849) is magnesium;benzene;4-methanidylmorpholine;hydrobromide.
What is the SMILES notation for magnesium;benzene;4-methanidylmorpholine;hydrobromide?
The canonical SMILES for magnesium;benzene;4-methanidylmorpholine;hydrobromide is Br.[CH2-]N1CCOCC1.[Mg+2].[c-]1ccccc1.
What is the InChIKey of magnesium;benzene;4-methanidylmorpholine;hydrobromide?
The InChIKey is GYWHULMRYZHUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.C5H10NO.BrH.Mg/c1-2-4-6-5-3-1;1-6-2-4-7-5-3-6;;/h1-5H;1-5H2;1H;/q2*-1;;+2.
What are the key properties of magnesium;benzene;4-methanidylmorpholine;hydrobromide?
magnesium;benzene;4-methanidylmorpholine;hydrobromide has a molecular weight of 282.46 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;benzene;4-methanidylmorpholine;hydrobromide is sourced from PubChem (CID 174636849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).