(E)-2-methylperoxyethenamine

C₃H₇NO₂ — CID 155769505

About (E)-2-methylperoxyethenamine

(E)-2-methylperoxyethenamine (PubChem CID 155769505) has the molecular formula C₃H₇NO₂ and a molecular weight of 89.09 g/mol. Its IUPAC name is (E)-2-methylperoxyethenamine.

Molecular Properties

• Compound Name: (E)-2-methylperoxyethenamine
• PubChem CID: 155769505
• Molecular Formula: C₃H₇NO₂
• Molecular Weight: 89.09 g/mol
• Exact Mass: 89.05
• IUPAC Name: (E)-2-methylperoxyethenamine
• SMILES: COO/C=C/N
• InChI: InChI=1S/C3H7NO2/c1-5-6-3-2-4/h2-3H,4H2,1H3/b3-2+
• InChIKey: BAJITXAXLVBSQH-NSCUHMNNSA-N
• XLogP: -0.01
• TPSA: 44.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 6
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	89.09
LogP ≤ 5	-0.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-2-methylperoxyethenamine?

The IUPAC name of (E)-2-methylperoxyethenamine (CID 155769505) is (E)-2-methylperoxyethenamine.

What is the SMILES notation for (E)-2-methylperoxyethenamine?

The canonical SMILES for (E)-2-methylperoxyethenamine is COO/C=C/N.

What is the InChIKey of (E)-2-methylperoxyethenamine?

The InChIKey is BAJITXAXLVBSQH-NSCUHMNNSA-N. The full InChI is InChI=1S/C3H7NO2/c1-5-6-3-2-4/h2-3H,4H2,1H3/b3-2+.

What are the key properties of (E)-2-methylperoxyethenamine?

(E)-2-methylperoxyethenamine has a molecular weight of 89.09 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-2-methylperoxyethenamine is sourced from PubChem (CID 155769505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155769505 — identifiers, structure, computed properties (public domain)

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