1-(5-bromofuran-2-yl)-N-methylmethanimine oxide

C6H6BrNO2 — CID 53396682

IUPAC1-(5-bromofuran-2-yl)-N-methylmethanimine oxide
SMILESC[N+]([O-])=Cc1ccc(Br)o1
InChIInChI=1S/C6H6BrNO2/c1-8(9)4-5-2-3-6(7)10-5/h2-4H,1H3
InChIKeyGUKHKSPQZGQXGC-UHFFFAOYSA-N
MW204.02 g/mol
LogP1.60
Rot. Bonds1

About 1-(5-bromofuran-2-yl)-N-methylmethanimine oxide

1-(5-bromofuran-2-yl)-N-methylmethanimine oxide (PubChem CID 53396682) has the molecular formula C6H6BrNO2 and a molecular weight of 204.02 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-N-methylmethanimine oxide.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-N-methylmethanimine oxide
PubChem CID53396682
Molecular FormulaC6H6BrNO2
Molecular Weight204.02 g/mol
Exact Mass202.96
IUPAC Name1-(5-bromofuran-2-yl)-N-methylmethanimine oxide
SMILESC[N+]([O-])=Cc1ccc(Br)o1
InChIInChI=1S/C6H6BrNO2/c1-8(9)4-5-2-3-6(7)10-5/h2-4H,1H3
InChIKeyGUKHKSPQZGQXGC-UHFFFAOYSA-N
XLogP1.60
TPSA39.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.02
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-(5-bromofuran-2-yl)-N-methylmethanimine oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-N-methylmethanimine oxide?
The IUPAC name of 1-(5-bromofuran-2-yl)-N-methylmethanimine oxide (CID 53396682) is 1-(5-bromofuran-2-yl)-N-methylmethanimine oxide.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-N-methylmethanimine oxide?
The canonical SMILES for 1-(5-bromofuran-2-yl)-N-methylmethanimine oxide is C[N+]([O-])=Cc1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-N-methylmethanimine oxide?
The InChIKey is GUKHKSPQZGQXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO2/c1-8(9)4-5-2-3-6(7)10-5/h2-4H,1H3.
What are the key properties of 1-(5-bromofuran-2-yl)-N-methylmethanimine oxide?
1-(5-bromofuran-2-yl)-N-methylmethanimine oxide has a molecular weight of 204.02 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-N-methylmethanimine oxide is sourced from PubChem (CID 53396682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).