7-(methoxymethyl)-2-methyl-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione

C11H13NO4 — CID 165035160

IUPAC7-(methoxymethyl)-2-methyl-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione
SMILESCOCC12C=CC(O1)C1C(=O)N(C)C(=O)C12
InChIInChI=1S/C11H13NO4/c1-12-9(13)7-6-3-4-11(16-6,5-15-2)8(7)10(12)14/h3-4,6-8H,5H2,1-2H3
InChIKeyNGRGOYKWCLNXCT-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.43
Rot. Bonds2

About 7-(methoxymethyl)-2-methyl-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione

7-(methoxymethyl)-2-methyl-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione (PubChem CID 165035160) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 7-(methoxymethyl)-2-methyl-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione.

Molecular Properties

Compound Name7-(methoxymethyl)-2-methyl-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione
PubChem CID165035160
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name7-(methoxymethyl)-2-methyl-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione
SMILESCOCC12C=CC(O1)C1C(=O)N(C)C(=O)C12
InChIInChI=1S/C11H13NO4/c1-12-9(13)7-6-3-4-11(16-6,5-15-2)8(7)10(12)14/h3-4,6-8H,5H2,1-2H3
InChIKeyNGRGOYKWCLNXCT-UHFFFAOYSA-N
XLogP-0.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-(methoxymethyl)-2-methyl-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethyl)-2-methyl-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione?
The IUPAC name of 7-(methoxymethyl)-2-methyl-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione (CID 165035160) is 7-(methoxymethyl)-2-methyl-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione.
What is the SMILES notation for 7-(methoxymethyl)-2-methyl-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione?
The canonical SMILES for 7-(methoxymethyl)-2-methyl-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione is COCC12C=CC(O1)C1C(=O)N(C)C(=O)C12.
What is the InChIKey of 7-(methoxymethyl)-2-methyl-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione?
The InChIKey is NGRGOYKWCLNXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-12-9(13)7-6-3-4-11(16-6,5-15-2)8(7)10(12)14/h3-4,6-8H,5H2,1-2H3.
What are the key properties of 7-(methoxymethyl)-2-methyl-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione?
7-(methoxymethyl)-2-methyl-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione has a molecular weight of 223.23 g/mol, XLogP of -0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethyl)-2-methyl-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione is sourced from PubChem (CID 165035160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).