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

C10H10N2O3 — CID 167279341

IUPAC2-(methoxyamino)-5-methylisoindole-1,3-dione
SMILESCONN1C(=O)c2ccc(C)cc2C1=O
InChIInChI=1S/C10H10N2O3/c1-6-3-4-7-8(5-6)10(14)12(9(7)13)11-15-2/h3-5,11H,1-2H3
InChIKeyVDKQUKXBYAKKMS-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.66
Rot. Bonds2

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

2-(methoxyamino)-5-methylisoindole-1,3-dione (PubChem CID 167279341) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-(methoxyamino)-5-methylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(methoxyamino)-5-methylisoindole-1,3-dione
PubChem CID167279341
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name2-(methoxyamino)-5-methylisoindole-1,3-dione
SMILESCONN1C(=O)c2ccc(C)cc2C1=O
InChIInChI=1S/C10H10N2O3/c1-6-3-4-7-8(5-6)10(14)12(9(7)13)11-15-2/h3-5,11H,1-2H3
InChIKeyVDKQUKXBYAKKMS-UHFFFAOYSA-N
XLogP0.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxyamino)-5-methylisoindole-1,3-dione?
The IUPAC name of 2-(methoxyamino)-5-methylisoindole-1,3-dione (CID 167279341) is 2-(methoxyamino)-5-methylisoindole-1,3-dione.
What is the SMILES notation for 2-(methoxyamino)-5-methylisoindole-1,3-dione?
The canonical SMILES for 2-(methoxyamino)-5-methylisoindole-1,3-dione is CONN1C(=O)c2ccc(C)cc2C1=O.
What is the InChIKey of 2-(methoxyamino)-5-methylisoindole-1,3-dione?
The InChIKey is VDKQUKXBYAKKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-6-3-4-7-8(5-6)10(14)12(9(7)13)11-15-2/h3-5,11H,1-2H3.
What are the key properties of 2-(methoxyamino)-5-methylisoindole-1,3-dione?
2-(methoxyamino)-5-methylisoindole-1,3-dione has a molecular weight of 206.20 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxyamino)-5-methylisoindole-1,3-dione is sourced from PubChem (CID 167279341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).