4-(ethylamino)-2-methylisoindole-1,3-dione

C11H12N2O2 — CID 654584

IUPAC4-(ethylamino)-2-methylisoindole-1,3-dione
SMILESCCNc1cccc2c1C(=O)N(C)C2=O
InChIInChI=1S/C11H12N2O2/c1-3-12-8-6-4-5-7-9(8)11(15)13(2)10(7)14/h4-6,12H,3H2,1-2H3
InChIKeyDFYMARXWSZBIQN-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.34
Rot. Bonds2

About 4-(ethylamino)-2-methylisoindole-1,3-dione

4-(ethylamino)-2-methylisoindole-1,3-dione (PubChem CID 654584) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(ethylamino)-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name4-(ethylamino)-2-methylisoindole-1,3-dione
PubChem CID654584
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-(ethylamino)-2-methylisoindole-1,3-dione
SMILESCCNc1cccc2c1C(=O)N(C)C2=O
InChIInChI=1S/C11H12N2O2/c1-3-12-8-6-4-5-7-9(8)11(15)13(2)10(7)14/h4-6,12H,3H2,1-2H3
InChIKeyDFYMARXWSZBIQN-UHFFFAOYSA-N
XLogP1.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
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 4-(ethylamino)-2-methylisoindole-1,3-dione?
The IUPAC name of 4-(ethylamino)-2-methylisoindole-1,3-dione (CID 654584) is 4-(ethylamino)-2-methylisoindole-1,3-dione.
What is the SMILES notation for 4-(ethylamino)-2-methylisoindole-1,3-dione?
The canonical SMILES for 4-(ethylamino)-2-methylisoindole-1,3-dione is CCNc1cccc2c1C(=O)N(C)C2=O.
What is the InChIKey of 4-(ethylamino)-2-methylisoindole-1,3-dione?
The InChIKey is DFYMARXWSZBIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-3-12-8-6-4-5-7-9(8)11(15)13(2)10(7)14/h4-6,12H,3H2,1-2H3.
What are the key properties of 4-(ethylamino)-2-methylisoindole-1,3-dione?
4-(ethylamino)-2-methylisoindole-1,3-dione has a molecular weight of 204.23 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-2-methylisoindole-1,3-dione is sourced from PubChem (CID 654584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).