CID 158403573

C8H5MgNO2 — CID 158403573

IUPAC—
SMILESO=C1NC(=O)c2ccccc21.[Mg]
InChIInChI=1S/C8H5NO2.Mg/c10-7-5-3-1-2-4-6(5)8(11)9-7;/h1-4H,(H,9,10,11);
InChIKeyGYKBYVWCIOIWRQ-UHFFFAOYSA-N
MW171.44 g/mol
LogP0.19
Rot. Bonds

About CID 158403573

CID 158403573 (PubChem CID 158403573) has the molecular formula C8H5MgNO2 and a molecular weight of 171.44 g/mol.

Molecular Properties

Compound NameCID 158403573
PubChem CID158403573
Molecular FormulaC8H5MgNO2
Molecular Weight171.44 g/mol
Exact Mass171.02
IUPAC Name—
SMILESO=C1NC(=O)c2ccccc21.[Mg]
InChIInChI=1S/C8H5NO2.Mg/c10-7-5-3-1-2-4-6(5)8(11)9-7;/h1-4H,(H,9,10,11);
InChIKeyGYKBYVWCIOIWRQ-UHFFFAOYSA-N
XLogP0.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.44
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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bromomethane;isoindole-1,3-dione
CID 158684384
dichloromethane;isoindole-1,3-dione
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chloroform;isoindole-1,3-dione
CID 157323823
isoindole-1,3-dione;naphthalene-1,4-dione
CID 70478975
isoindole-1,3-dione;phenol
CID 157178846
isoindole-1,3-dione;1,3,5-triazine-2,4,6-triamine
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Frequently Asked Questions

What is the IUPAC name of CID 158403573?
The IUPAC name of CID 158403573 (CID 158403573) is not available.
What is the SMILES notation for CID 158403573?
The canonical SMILES for CID 158403573 is O=C1NC(=O)c2ccccc21.[Mg].
What is the InChIKey of CID 158403573?
The InChIKey is GYKBYVWCIOIWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2.Mg/c10-7-5-3-1-2-4-6(5)8(11)9-7;/h1-4H,(H,9,10,11);.
What are the key properties of CID 158403573?
CID 158403573 has a molecular weight of 171.44 g/mol, XLogP of 0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158403573 is sourced from PubChem (CID 158403573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).