2-methyl-1,3-dioxoisoindole-5-diazonium

C9H6N3O2+ — CID 101332982

IUPAC2-methyl-1,3-dioxoisoindole-5-diazonium
SMILESCN1C(=O)c2ccc([N+]#N)cc2C1=O
InChIInChI=1S/C9H6N3O2/c1-12-8(13)6-3-2-5(11-10)4-7(6)9(12)14/h2-4H,1H3/q+1
InChIKeyBOHBOGQBSOADRQ-UHFFFAOYSA-N
MW188.17 g/mol
LogP1.40
Rot. Bonds

About 2-methyl-1,3-dioxoisoindole-5-diazonium

2-methyl-1,3-dioxoisoindole-5-diazonium (PubChem CID 101332982) has the molecular formula C9H6N3O2+ and a molecular weight of 188.17 g/mol. Its IUPAC name is 2-methyl-1,3-dioxoisoindole-5-diazonium.

Molecular Properties

Compound Name2-methyl-1,3-dioxoisoindole-5-diazonium
PubChem CID101332982
Molecular FormulaC9H6N3O2+
Molecular Weight188.17 g/mol
Exact Mass188.05
IUPAC Name2-methyl-1,3-dioxoisoindole-5-diazonium
SMILESCN1C(=O)c2ccc([N+]#N)cc2C1=O
InChIInChI=1S/C9H6N3O2/c1-12-8(13)6-3-2-5(11-10)4-7(6)9(12)14/h2-4H,1H3/q+1
InChIKeyBOHBOGQBSOADRQ-UHFFFAOYSA-N
XLogP1.40
TPSA65.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione
CID 973288
1,3-dioxoisoindole-5-diazonium
CID 130014657
5-(aminomethyl)-2-methylisoindole-1,3-dione
CID 82404123
ethane;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione
CID 143852340
(2-methyl-1,3-dioxoisoindol-5-yl) thiohypochlorite
CID 163466743
5-(3-aminoanilino)-2-methylisoindole-1,3-dione
CID 43132787
2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione
CID 161253964
5-(1-bromoethyl)-2-methylisoindole-1,3-dione
CID 22079958
2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione
CID 90139758
ethane;methane;2-methyl-5-[(2-methyl-1,3-dioxoisoindol-5-yl)methyl]isoindole-1,3-dione;bis(prop-1-yne)
CID 158185067
2-methyl-5-(2-phosphanylethyl)isoindole-1,3-dione
CID 143335808
5,6-dichloro-2-methylisoindole-1,3-dione
CID 13152716

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-dioxoisoindole-5-diazonium?
The IUPAC name of 2-methyl-1,3-dioxoisoindole-5-diazonium (CID 101332982) is 2-methyl-1,3-dioxoisoindole-5-diazonium.
What is the SMILES notation for 2-methyl-1,3-dioxoisoindole-5-diazonium?
The canonical SMILES for 2-methyl-1,3-dioxoisoindole-5-diazonium is CN1C(=O)c2ccc([N+]#N)cc2C1=O.
What is the InChIKey of 2-methyl-1,3-dioxoisoindole-5-diazonium?
The InChIKey is BOHBOGQBSOADRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N3O2/c1-12-8(13)6-3-2-5(11-10)4-7(6)9(12)14/h2-4H,1H3/q+1.
What are the key properties of 2-methyl-1,3-dioxoisoindole-5-diazonium?
2-methyl-1,3-dioxoisoindole-5-diazonium has a molecular weight of 188.17 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-dioxoisoindole-5-diazonium is sourced from PubChem (CID 101332982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).