bromomethane;isoindole-1,3-dione

C9H8BrNO2 — CID 158684384

IUPACbromomethane;isoindole-1,3-dione
SMILESCBr.O=C1NC(=O)c2ccccc21
InChIInChI=1S/C8H5NO2.CH3Br/c10-7-5-3-1-2-4-6(5)8(11)9-7;1-2/h1-4H,(H,9,10,11);1H3
InChIKeyIFNVLOSVQDWUHI-UHFFFAOYSA-N
MW242.07 g/mol
LogP1.58
Rot. Bonds

About bromomethane;isoindole-1,3-dione

bromomethane;isoindole-1,3-dione (PubChem CID 158684384) has the molecular formula C9H8BrNO2 and a molecular weight of 242.07 g/mol. Its IUPAC name is bromomethane;isoindole-1,3-dione.

Molecular Properties

Compound Namebromomethane;isoindole-1,3-dione
PubChem CID158684384
Molecular FormulaC9H8BrNO2
Molecular Weight242.07 g/mol
Exact Mass240.97
IUPAC Namebromomethane;isoindole-1,3-dione
SMILESCBr.O=C1NC(=O)c2ccccc21
InChIInChI=1S/C8H5NO2.CH3Br/c10-7-5-3-1-2-4-6(5)8(11)9-7;1-2/h1-4H,(H,9,10,11);1H3
InChIKeyIFNVLOSVQDWUHI-UHFFFAOYSA-N
XLogP1.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.07
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bromomethane;isoindole-1,3-dione?
The IUPAC name of bromomethane;isoindole-1,3-dione (CID 158684384) is bromomethane;isoindole-1,3-dione.
What is the SMILES notation for bromomethane;isoindole-1,3-dione?
The canonical SMILES for bromomethane;isoindole-1,3-dione is CBr.O=C1NC(=O)c2ccccc21.
What is the InChIKey of bromomethane;isoindole-1,3-dione?
The InChIKey is IFNVLOSVQDWUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2.CH3Br/c10-7-5-3-1-2-4-6(5)8(11)9-7;1-2/h1-4H,(H,9,10,11);1H3.
What are the key properties of bromomethane;isoindole-1,3-dione?
bromomethane;isoindole-1,3-dione has a molecular weight of 242.07 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;isoindole-1,3-dione is sourced from PubChem (CID 158684384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).