(1E)-2-imino-N-methoxyethanimidoyl bromide

C3H5BrN2O — CID 167188549

IUPAC(1E)-2-imino-N-methoxyethanimidoyl bromide
SMILES[H]/N=C/C(Br)=N\OC
InChIInChI=1S/C3H5BrN2O/c1-7-6-3(4)2-5/h2,5H,1H3/b5-2+,6-3+
InChIKeyWQDAIAYIINOZNX-BUSIMMOISA-N
MW164.99 g/mol
LogP0.99
Rot. Bonds2

About (1E)-2-imino-N-methoxyethanimidoyl bromide

(1E)-2-imino-N-methoxyethanimidoyl bromide (PubChem CID 167188549) has the molecular formula C3H5BrN2O and a molecular weight of 164.99 g/mol. Its IUPAC name is (1E)-2-imino-N-methoxyethanimidoyl bromide.

Molecular Properties

Compound Name(1E)-2-imino-N-methoxyethanimidoyl bromide
PubChem CID167188549
Molecular FormulaC3H5BrN2O
Molecular Weight164.99 g/mol
Exact Mass163.96
IUPAC Name(1E)-2-imino-N-methoxyethanimidoyl bromide
SMILES[H]/N=C/C(Br)=N\OC
InChIInChI=1S/C3H5BrN2O/c1-7-6-3(4)2-5/h2,5H,1H3/b5-2+,6-3+
InChIKeyWQDAIAYIINOZNX-BUSIMMOISA-N
XLogP0.99
TPSA45.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.99
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E)-2-imino-N-methoxyethanimidoyl bromide?
The IUPAC name of (1E)-2-imino-N-methoxyethanimidoyl bromide (CID 167188549) is (1E)-2-imino-N-methoxyethanimidoyl bromide.
What is the SMILES notation for (1E)-2-imino-N-methoxyethanimidoyl bromide?
The canonical SMILES for (1E)-2-imino-N-methoxyethanimidoyl bromide is [H]/N=C/C(Br)=N\OC.
What is the InChIKey of (1E)-2-imino-N-methoxyethanimidoyl bromide?
The InChIKey is WQDAIAYIINOZNX-BUSIMMOISA-N. The full InChI is InChI=1S/C3H5BrN2O/c1-7-6-3(4)2-5/h2,5H,1H3/b5-2+,6-3+.
What are the key properties of (1E)-2-imino-N-methoxyethanimidoyl bromide?
(1E)-2-imino-N-methoxyethanimidoyl bromide has a molecular weight of 164.99 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-imino-N-methoxyethanimidoyl bromide is sourced from PubChem (CID 167188549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).