3-isocyanofuran

C5H3NO — CID 59999728

IUPAC3-isocyanofuran
SMILES[C-]#[N+]c1ccoc1
InChIInChI=1S/C5H3NO/c1-6-5-2-3-7-4-5/h2-4H
InChIKeyGYJMUSVHBKEISV-UHFFFAOYSA-N
MW93.08 g/mol
LogP1.83
Rot. Bonds

About 3-isocyanofuran

3-isocyanofuran (PubChem CID 59999728) has the molecular formula C5H3NO and a molecular weight of 93.08 g/mol. Its IUPAC name is 3-isocyanofuran.

Molecular Properties

Compound Name3-isocyanofuran
PubChem CID59999728
Molecular FormulaC5H3NO
Molecular Weight93.08 g/mol
Exact Mass93.02
IUPAC Name3-isocyanofuran
SMILES[C-]#[N+]c1ccoc1
InChIInChI=1S/C5H3NO/c1-6-5-2-3-7-4-5/h2-4H
InChIKeyGYJMUSVHBKEISV-UHFFFAOYSA-N
XLogP1.83
TPSA17.50 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.08
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-isocyanofuran?
The IUPAC name of 3-isocyanofuran (CID 59999728) is 3-isocyanofuran.
What is the SMILES notation for 3-isocyanofuran?
The canonical SMILES for 3-isocyanofuran is [C-]#[N+]c1ccoc1.
What is the InChIKey of 3-isocyanofuran?
The InChIKey is GYJMUSVHBKEISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3NO/c1-6-5-2-3-7-4-5/h2-4H.
What are the key properties of 3-isocyanofuran?
3-isocyanofuran has a molecular weight of 93.08 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isocyanofuran is sourced from PubChem (CID 59999728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).