furan-2-yloxymethanamine

C5H7NO2 — CID 54248067

IUPACfuran-2-yloxymethanamine
SMILESNCOc1ccco1
InChIInChI=1S/C5H7NO2/c6-4-8-5-2-1-3-7-5/h1-3H,4,6H2
InChIKeyABYNGRMETZWVPO-UHFFFAOYSA-N
MW113.12 g/mol
LogP0.57
Rot. Bonds2

About furan-2-yloxymethanamine

furan-2-yloxymethanamine (PubChem CID 54248067) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is furan-2-yloxymethanamine.

Molecular Properties

Compound Namefuran-2-yloxymethanamine
PubChem CID54248067
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Namefuran-2-yloxymethanamine
SMILESNCOc1ccco1
InChIInChI=1S/C5H7NO2/c6-4-8-5-2-1-3-7-5/h1-3H,4,6H2
InChIKeyABYNGRMETZWVPO-UHFFFAOYSA-N
XLogP0.57
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze furan-2-yloxymethanamine 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 furan-2-yloxymethanamine?
The IUPAC name of furan-2-yloxymethanamine (CID 54248067) is furan-2-yloxymethanamine.
What is the SMILES notation for furan-2-yloxymethanamine?
The canonical SMILES for furan-2-yloxymethanamine is NCOc1ccco1.
What is the InChIKey of furan-2-yloxymethanamine?
The InChIKey is ABYNGRMETZWVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c6-4-8-5-2-1-3-7-5/h1-3H,4,6H2.
What are the key properties of furan-2-yloxymethanamine?
furan-2-yloxymethanamine has a molecular weight of 113.12 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yloxymethanamine is sourced from PubChem (CID 54248067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).