4,7-dimethyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione

C10H11NO3 — CID 2863775

IUPAC4,7-dimethyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
SMILESCC12C=CC(C)(O1)C1C(=O)NC(=O)C12
InChIInChI=1S/C10H11NO3/c1-9-3-4-10(2,14-9)6-5(9)7(12)11-8(6)13/h3-6H,1-2H3,(H,11,12,13)
InChIKeyCIUXLATYFJJJIP-UHFFFAOYSA-N
MW193.20 g/mol
LogP-0.01
Rot. Bonds

About 4,7-dimethyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione

4,7-dimethyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione (PubChem CID 2863775) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 4,7-dimethyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione.

Molecular Properties

Compound Name4,7-dimethyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
PubChem CID2863775
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name4,7-dimethyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
SMILESCC12C=CC(C)(O1)C1C(=O)NC(=O)C12
InChIInChI=1S/C10H11NO3/c1-9-3-4-10(2,14-9)6-5(9)7(12)11-8(6)13/h3-6H,1-2H3,(H,11,12,13)
InChIKeyCIUXLATYFJJJIP-UHFFFAOYSA-N
XLogP-0.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione?
The IUPAC name of 4,7-dimethyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione (CID 2863775) is 4,7-dimethyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione.
What is the SMILES notation for 4,7-dimethyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione?
The canonical SMILES for 4,7-dimethyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione is CC12C=CC(C)(O1)C1C(=O)NC(=O)C12.
What is the InChIKey of 4,7-dimethyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione?
The InChIKey is CIUXLATYFJJJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-9-3-4-10(2,14-9)6-5(9)7(12)11-8(6)13/h3-6H,1-2H3,(H,11,12,13).
What are the key properties of 4,7-dimethyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione?
4,7-dimethyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione has a molecular weight of 193.20 g/mol, XLogP of -0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione is sourced from PubChem (CID 2863775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).