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

C11H12N2O2 — CID 657642

IUPAC5-(dimethylamino)-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(N(C)C)cc2C1=O
InChIInChI=1S/C11H12N2O2/c1-12(2)7-4-5-8-9(6-7)11(15)13(3)10(8)14/h4-6H,1-3H3
InChIKeyKSEJNTBYAJRFMU-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.98
Rot. Bonds1

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

5-(dimethylamino)-2-methylisoindole-1,3-dione (PubChem CID 657642) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-(dimethylamino)-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-(dimethylamino)-2-methylisoindole-1,3-dione
PubChem CID657642
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name5-(dimethylamino)-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(N(C)C)cc2C1=O
InChIInChI=1S/C11H12N2O2/c1-12(2)7-4-5-8-9(6-7)11(15)13(3)10(8)14/h4-6H,1-3H3
InChIKeyKSEJNTBYAJRFMU-UHFFFAOYSA-N
XLogP0.98
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.98
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-(dimethylamino)-2-methylisoindole-1,3-dione?
The IUPAC name of 5-(dimethylamino)-2-methylisoindole-1,3-dione (CID 657642) is 5-(dimethylamino)-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-(dimethylamino)-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-(dimethylamino)-2-methylisoindole-1,3-dione is CN1C(=O)c2ccc(N(C)C)cc2C1=O.
What is the InChIKey of 5-(dimethylamino)-2-methylisoindole-1,3-dione?
The InChIKey is KSEJNTBYAJRFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-12(2)7-4-5-8-9(6-7)11(15)13(3)10(8)14/h4-6H,1-3H3.
What are the key properties of 5-(dimethylamino)-2-methylisoindole-1,3-dione?
5-(dimethylamino)-2-methylisoindole-1,3-dione has a molecular weight of 204.23 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-methylisoindole-1,3-dione is sourced from PubChem (CID 657642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).