6-ethyl-2,4-dimethylisoindole-1,3-dione

C12H13NO2 — CID 170003008

IUPAC6-ethyl-2,4-dimethylisoindole-1,3-dione
SMILESCCc1cc(C)c2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C12H13NO2/c1-4-8-5-7(2)10-9(6-8)11(14)13(3)12(10)15/h5-6H,4H2,1-3H3
InChIKeyAOTXLZRBWWQOJW-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.78
Rot. Bonds1

About 6-ethyl-2,4-dimethylisoindole-1,3-dione

6-ethyl-2,4-dimethylisoindole-1,3-dione (PubChem CID 170003008) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 6-ethyl-2,4-dimethylisoindole-1,3-dione.

Molecular Properties

Compound Name6-ethyl-2,4-dimethylisoindole-1,3-dione
PubChem CID170003008
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name6-ethyl-2,4-dimethylisoindole-1,3-dione
SMILESCCc1cc(C)c2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C12H13NO2/c1-4-8-5-7(2)10-9(6-8)11(14)13(3)12(10)15/h5-6H,4H2,1-3H3
InChIKeyAOTXLZRBWWQOJW-UHFFFAOYSA-N
XLogP1.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.78
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
Phthalimide
CID 6809
N-Methylphthalimide
CID 11074
N-Hydroxyphthalimide
CID 10665
Phosmet oxon
CID 77323
Isopropylphthalimide
CID 67535
N-(hydroxymethyl)phthalimide
CID 8354
N-Butylphthalimide
CID 73812
Chloromethylphthalimide
CID 87154
N-Ethylphthalimide
CID 21120
N-Carbethoxyphthalimide
CID 31187
N-(2-Methylallyl)-phthalimide
CID 231838

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,4-dimethylisoindole-1,3-dione?
The IUPAC name of 6-ethyl-2,4-dimethylisoindole-1,3-dione (CID 170003008) is 6-ethyl-2,4-dimethylisoindole-1,3-dione.
What is the SMILES notation for 6-ethyl-2,4-dimethylisoindole-1,3-dione?
The canonical SMILES for 6-ethyl-2,4-dimethylisoindole-1,3-dione is CCc1cc(C)c2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of 6-ethyl-2,4-dimethylisoindole-1,3-dione?
The InChIKey is AOTXLZRBWWQOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-4-8-5-7(2)10-9(6-8)11(14)13(3)12(10)15/h5-6H,4H2,1-3H3.
What are the key properties of 6-ethyl-2,4-dimethylisoindole-1,3-dione?
6-ethyl-2,4-dimethylisoindole-1,3-dione has a molecular weight of 203.24 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,4-dimethylisoindole-1,3-dione is sourced from PubChem (CID 170003008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).