furan-2-ylcyanamide

C5H4N2O — CID 119083858

IUPACfuran-2-ylcyanamide
SMILESN#CNc1ccco1
InChIInChI=1S/C5H4N2O/c6-4-7-5-2-1-3-8-5/h1-3,7H
InChIKeyAROKDJJUWVINHI-UHFFFAOYSA-N
MW108.10 g/mol
LogP1.17
Rot. Bonds1

About furan-2-ylcyanamide

furan-2-ylcyanamide (PubChem CID 119083858) has the molecular formula C5H4N2O and a molecular weight of 108.10 g/mol. Its IUPAC name is furan-2-ylcyanamide.

Molecular Properties

Compound Namefuran-2-ylcyanamide
PubChem CID119083858
Molecular FormulaC5H4N2O
Molecular Weight108.10 g/mol
Exact Mass108.03
IUPAC Namefuran-2-ylcyanamide
SMILESN#CNc1ccco1
InChIInChI=1S/C5H4N2O/c6-4-7-5-2-1-3-8-5/h1-3,7H
InChIKeyAROKDJJUWVINHI-UHFFFAOYSA-N
XLogP1.17
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.10
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze furan-2-ylcyanamide 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-ylcyanamide?
The IUPAC name of furan-2-ylcyanamide (CID 119083858) is furan-2-ylcyanamide.
What is the SMILES notation for furan-2-ylcyanamide?
The canonical SMILES for furan-2-ylcyanamide is N#CNc1ccco1.
What is the InChIKey of furan-2-ylcyanamide?
The InChIKey is AROKDJJUWVINHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O/c6-4-7-5-2-1-3-8-5/h1-3,7H.
What are the key properties of furan-2-ylcyanamide?
furan-2-ylcyanamide has a molecular weight of 108.10 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylcyanamide is sourced from PubChem (CID 119083858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).