2-methylisoindole-1,3-dione

C9H7NO2 — CID 11074

IUPAC2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C9H7NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5H,1H3
InChIKeyZXLYYQUMYFHCLQ-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.91
Rot. Bonds

About 2-methylisoindole-1,3-dione

2-methylisoindole-1,3-dione (PubChem CID 11074) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name2-methylisoindole-1,3-dione
PubChem CID11074
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C9H7NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5H,1H3
InChIKeyZXLYYQUMYFHCLQ-UHFFFAOYSA-N
XLogP0.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phosmet
CID 12901
Folpet
CID 8607
2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione
CID 28777
Phthalimide
CID 6809
N-Hydroxyphthalimide
CID 10665
Phthalimidine
CID 10199
Ditalimfos
CID 21207
Phosmet oxon
CID 77323
2-Methyl-N,N-diethylbenzamide
CID 75945
N-(2,3-Epoxypropyl)phthalimide
CID 21601
Isopropylphthalimide
CID 67535
N-(hydroxymethyl)phthalimide
CID 8354

Frequently Asked Questions

What is the IUPAC name of 2-methylisoindole-1,3-dione?
The IUPAC name of 2-methylisoindole-1,3-dione (CID 11074) is 2-methylisoindole-1,3-dione.
What is the SMILES notation for 2-methylisoindole-1,3-dione?
The canonical SMILES for 2-methylisoindole-1,3-dione is CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-methylisoindole-1,3-dione?
The InChIKey is ZXLYYQUMYFHCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5H,1H3.
What are the key properties of 2-methylisoindole-1,3-dione?
2-methylisoindole-1,3-dione has a molecular weight of 161.16 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylisoindole-1,3-dione is sourced from PubChem (CID 11074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).