5-(diethylamino)-2-methylisoindole-1,3-dione

C13H16N2O2 — CID 665052

IUPAC5-(diethylamino)-2-methylisoindole-1,3-dione
SMILESCCN(CC)c1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C13H16N2O2/c1-4-15(5-2)9-6-7-10-11(8-9)13(17)14(3)12(10)16/h6-8H,4-5H2,1-3H3
InChIKeyFHEQNAQJMRIYTO-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.76
Rot. Bonds3

About 5-(diethylamino)-2-methylisoindole-1,3-dione

5-(diethylamino)-2-methylisoindole-1,3-dione (PubChem CID 665052) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-(diethylamino)-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-(diethylamino)-2-methylisoindole-1,3-dione
PubChem CID665052
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name5-(diethylamino)-2-methylisoindole-1,3-dione
SMILESCCN(CC)c1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C13H16N2O2/c1-4-15(5-2)9-6-7-10-11(8-9)13(17)14(3)12(10)16/h6-8H,4-5H2,1-3H3
InChIKeyFHEQNAQJMRIYTO-UHFFFAOYSA-N
XLogP1.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-methylisoindole-1,3-dione?
The IUPAC name of 5-(diethylamino)-2-methylisoindole-1,3-dione (CID 665052) is 5-(diethylamino)-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-(diethylamino)-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-(diethylamino)-2-methylisoindole-1,3-dione is CCN(CC)c1ccc2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of 5-(diethylamino)-2-methylisoindole-1,3-dione?
The InChIKey is FHEQNAQJMRIYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-4-15(5-2)9-6-7-10-11(8-9)13(17)14(3)12(10)16/h6-8H,4-5H2,1-3H3.
What are the key properties of 5-(diethylamino)-2-methylisoindole-1,3-dione?
5-(diethylamino)-2-methylisoindole-1,3-dione has a molecular weight of 232.28 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-methylisoindole-1,3-dione is sourced from PubChem (CID 665052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).