2-(isocyanomethyl)furan

C6H5NO — CID 2771559

IUPAC2-(isocyanomethyl)furan
SMILES[C-]#[N+]Cc1ccco1
InChIInChI=1S/C6H5NO/c1-7-5-6-3-2-4-8-6/h2-4H,5H2
InChIKeyGFMCZLFTIHYPHD-UHFFFAOYSA-N
MW107.11 g/mol
LogP1.70
Rot. Bonds1

About 2-(isocyanomethyl)furan

2-(isocyanomethyl)furan (PubChem CID 2771559) has the molecular formula C6H5NO and a molecular weight of 107.11 g/mol. Its IUPAC name is 2-(isocyanomethyl)furan.

Molecular Properties

Compound Name2-(isocyanomethyl)furan
PubChem CID2771559
Molecular FormulaC6H5NO
Molecular Weight107.11 g/mol
Exact Mass107.04
IUPAC Name2-(isocyanomethyl)furan
SMILES[C-]#[N+]Cc1ccco1
InChIInChI=1S/C6H5NO/c1-7-5-6-3-2-4-8-6/h2-4H,5H2
InChIKeyGFMCZLFTIHYPHD-UHFFFAOYSA-N
XLogP1.70
TPSA17.50 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.11
LogP ≤ 51.70
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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Related Compounds

Furfurylamine
CID 3438
2-Furanmethanaminium, N,N,N-trimethyl-, iodide (1:1)
CID 10937
Furamide
CID 69108
5-Methylfurtrethonium
CID 4141
Furan-2-carbothioamide
CID 2777138
N-Methylfurfurylamine
CID 78492
N,N,N-Trimethyl-2-furanmethanaminium
CID 10938
1-Furfurylpyrrolidine
CID 3768984
2-(Isothiocyanatomethyl)furan
CID 78380
2-Furanacrylonitrile
CID 5325137
2-(Isocyanatomethyl)furan
CID 4223811
N-Furfurylmaleimide
CID 292901

Frequently Asked Questions

What is the IUPAC name of 2-(isocyanomethyl)furan?
The IUPAC name of 2-(isocyanomethyl)furan (CID 2771559) is 2-(isocyanomethyl)furan.
What is the SMILES notation for 2-(isocyanomethyl)furan?
The canonical SMILES for 2-(isocyanomethyl)furan is [C-]#[N+]Cc1ccco1.
What is the InChIKey of 2-(isocyanomethyl)furan?
The InChIKey is GFMCZLFTIHYPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO/c1-7-5-6-3-2-4-8-6/h2-4H,5H2.
What are the key properties of 2-(isocyanomethyl)furan?
2-(isocyanomethyl)furan has a molecular weight of 107.11 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(isocyanomethyl)furan is sourced from PubChem (CID 2771559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).