magnesium;indol-2-one;methoxybenzene;bromide

C15H12BrMgNO2 — CID 159748140

IUPACmagnesium;indol-2-one;methoxybenzene;bromide
SMILESCOc1[c-]cccc1.O=C1C=c2ccccc2=N1.[Br-].[Mg+2]
InChIInChI=1S/C8H5NO.C7H7O.BrH.Mg/c10-8-5-6-3-1-2-4-7(6)9-8;1-8-7-5-3-2-4-6-7;;/h1-5H;2-5H,1H3;1H;/q;-1;;+2/p-1
InChIKeyXAMFVMARCHDCSF-UHFFFAOYSA-M
MW342.48 g/mol
LogP-2.25
Rot. Bonds1

About magnesium;indol-2-one;methoxybenzene;bromide

magnesium;indol-2-one;methoxybenzene;bromide (PubChem CID 159748140) has the molecular formula C15H12BrMgNO2 and a molecular weight of 342.48 g/mol. Its IUPAC name is magnesium;indol-2-one;methoxybenzene;bromide.

Molecular Properties

Compound Namemagnesium;indol-2-one;methoxybenzene;bromide
PubChem CID159748140
Molecular FormulaC15H12BrMgNO2
Molecular Weight342.48 g/mol
Exact Mass340.99
IUPAC Namemagnesium;indol-2-one;methoxybenzene;bromide
SMILESCOc1[c-]cccc1.O=C1C=c2ccccc2=N1.[Br-].[Mg+2]
InChIInChI=1S/C8H5NO.C7H7O.BrH.Mg/c10-8-5-6-3-1-2-4-7(6)9-8;1-8-7-5-3-2-4-6-7;;/h1-5H;2-5H,1H3;1H;/q;-1;;+2/p-1
InChIKeyXAMFVMARCHDCSF-UHFFFAOYSA-M
XLogP-2.25
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 5-2.25
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

5-(Trifluoromethoxy)indol-2-one
CID 71776005
7-Fluoro-5-methoxyindol-2-one
CID 175467488
3,5-Dimethylfuro[3,2-g]quinolin-7-one
CID 129782358
Furo[3,2-g]quinolin-7-one
CID 129869574
6-Methoxybenzazepin-2-one
CID 20137812
5-Methoxyindol-2-one
CID 23212395
5-Ethoxyindol-2-one
CID 23212399
5,6-Dimethoxyindol-2-one
CID 46739843
6-Methoxyindol-2-one
CID 46739860
8-Methoxy-1-benzazepin-2-one
CID 57417925
[1,4]Dioxino[2,3-e]indol-8-one
CID 69189548
5-Butoxyindol-2-one
CID 70354099

Frequently Asked Questions

What is the IUPAC name of magnesium;indol-2-one;methoxybenzene;bromide?
The IUPAC name of magnesium;indol-2-one;methoxybenzene;bromide (CID 159748140) is magnesium;indol-2-one;methoxybenzene;bromide.
What is the SMILES notation for magnesium;indol-2-one;methoxybenzene;bromide?
The canonical SMILES for magnesium;indol-2-one;methoxybenzene;bromide is COc1[c-]cccc1.O=C1C=c2ccccc2=N1.[Br-].[Mg+2].
What is the InChIKey of magnesium;indol-2-one;methoxybenzene;bromide?
The InChIKey is XAMFVMARCHDCSF-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H5NO.C7H7O.BrH.Mg/c10-8-5-6-3-1-2-4-7(6)9-8;1-8-7-5-3-2-4-6-7;;/h1-5H;2-5H,1H3;1H;/q;-1;;+2/p-1.
What are the key properties of magnesium;indol-2-one;methoxybenzene;bromide?
magnesium;indol-2-one;methoxybenzene;bromide has a molecular weight of 342.48 g/mol, XLogP of -2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;indol-2-one;methoxybenzene;bromide is sourced from PubChem (CID 159748140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).