5,6-dimethoxy-2-methylisoindole-1,3-dione

C11H11NO4 — CID 613470

IUPAC5,6-dimethoxy-2-methylisoindole-1,3-dione
SMILESCOc1cc2c(cc1OC)C(=O)N(C)C2=O
InChIInChI=1S/C11H11NO4/c1-12-10(13)6-4-8(15-2)9(16-3)5-7(6)11(12)14/h4-5H,1-3H3
InChIKeyPKPGFJZHKICOBX-UHFFFAOYSA-N
MW221.21 g/mol
LogP0.93
Rot. Bonds2

About 5,6-dimethoxy-2-methylisoindole-1,3-dione

5,6-dimethoxy-2-methylisoindole-1,3-dione (PubChem CID 613470) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 5,6-dimethoxy-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5,6-dimethoxy-2-methylisoindole-1,3-dione
PubChem CID613470
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name5,6-dimethoxy-2-methylisoindole-1,3-dione
SMILESCOc1cc2c(cc1OC)C(=O)N(C)C2=O
InChIInChI=1S/C11H11NO4/c1-12-10(13)6-4-8(15-2)9(16-3)5-7(6)11(12)14/h4-5H,1-3H3
InChIKeyPKPGFJZHKICOBX-UHFFFAOYSA-N
XLogP0.93
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2-methylisoindole-1,3-dione?
The IUPAC name of 5,6-dimethoxy-2-methylisoindole-1,3-dione (CID 613470) is 5,6-dimethoxy-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5,6-dimethoxy-2-methylisoindole-1,3-dione?
The canonical SMILES for 5,6-dimethoxy-2-methylisoindole-1,3-dione is COc1cc2c(cc1OC)C(=O)N(C)C2=O.
What is the InChIKey of 5,6-dimethoxy-2-methylisoindole-1,3-dione?
The InChIKey is PKPGFJZHKICOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-12-10(13)6-4-8(15-2)9(16-3)5-7(6)11(12)14/h4-5H,1-3H3.
What are the key properties of 5,6-dimethoxy-2-methylisoindole-1,3-dione?
5,6-dimethoxy-2-methylisoindole-1,3-dione has a molecular weight of 221.21 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2-methylisoindole-1,3-dione is sourced from PubChem (CID 613470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).