(E)-2-methylperoxyethenamine

C3H7NO2 — CID 155769505

IUPAC(E)-2-methylperoxyethenamine
SMILESCOO/C=C/N
InChIInChI=1S/C3H7NO2/c1-5-6-3-2-4/h2-3H,4H2,1H3/b3-2+
InChIKeyBAJITXAXLVBSQH-NSCUHMNNSA-N
MW89.09 g/mol
LogP-0.01
Rot. Bonds2

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 CID155769505
Molecular FormulaC3H7NO2
Molecular Weight89.09 g/mol
Exact Mass89.05
IUPAC Name(E)-2-methylperoxyethenamine
SMILESCOO/C=C/N
InChIInChI=1S/C3H7NO2/c1-5-6-3-2-4/h2-3H,4H2,1H3/b3-2+
InChIKeyBAJITXAXLVBSQH-NSCUHMNNSA-N
XLogP-0.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.09
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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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).