(2-aminophenyl) N-methylcarbamoperoxoate

C8H10N2O3 — CID 164909096

IUPAC(2-aminophenyl) N-methylcarbamoperoxoate
SMILESCNC(=O)OOc1ccccc1N
InChIInChI=1S/C8H10N2O3/c1-10-8(11)13-12-7-5-3-2-4-6(7)9/h2-5H,9H2,1H3,(H,10,11)
InChIKeyUIRULLUMWVGIJL-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.92
Rot. Bonds2

About (2-aminophenyl) N-methylcarbamoperoxoate

(2-aminophenyl) N-methylcarbamoperoxoate (PubChem CID 164909096) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is (2-aminophenyl) N-methylcarbamoperoxoate.

Molecular Properties

Compound Name(2-aminophenyl) N-methylcarbamoperoxoate
PubChem CID164909096
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name(2-aminophenyl) N-methylcarbamoperoxoate
SMILESCNC(=O)OOc1ccccc1N
InChIInChI=1S/C8H10N2O3/c1-10-8(11)13-12-7-5-3-2-4-6(7)9/h2-5H,9H2,1H3,(H,10,11)
InChIKeyUIRULLUMWVGIJL-UHFFFAOYSA-N
XLogP0.92
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl) N-methylcarbamoperoxoate?
The IUPAC name of (2-aminophenyl) N-methylcarbamoperoxoate (CID 164909096) is (2-aminophenyl) N-methylcarbamoperoxoate.
What is the SMILES notation for (2-aminophenyl) N-methylcarbamoperoxoate?
The canonical SMILES for (2-aminophenyl) N-methylcarbamoperoxoate is CNC(=O)OOc1ccccc1N.
What is the InChIKey of (2-aminophenyl) N-methylcarbamoperoxoate?
The InChIKey is UIRULLUMWVGIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-10-8(11)13-12-7-5-3-2-4-6(7)9/h2-5H,9H2,1H3,(H,10,11).
What are the key properties of (2-aminophenyl) N-methylcarbamoperoxoate?
(2-aminophenyl) N-methylcarbamoperoxoate has a molecular weight of 182.18 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl) N-methylcarbamoperoxoate is sourced from PubChem (CID 164909096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).