3,4-diisocyanatofuran

C6H2N2O3 — CID 119094245

IUPAC3,4-diisocyanatofuran
SMILESO=C=Nc1cocc1N=C=O
InChIInChI=1S/C6H2N2O3/c9-3-7-5-1-11-2-6(5)8-4-10/h1-2H
InChIKeyNIIPPFUUAXTTSY-UHFFFAOYSA-N
MW150.09 g/mol
LogP1.21
Rot. Bonds2

About 3,4-diisocyanatofuran

3,4-diisocyanatofuran (PubChem CID 119094245) has the molecular formula C6H2N2O3 and a molecular weight of 150.09 g/mol. Its IUPAC name is 3,4-diisocyanatofuran.

Molecular Properties

Compound Name3,4-diisocyanatofuran
PubChem CID119094245
Molecular FormulaC6H2N2O3
Molecular Weight150.09 g/mol
Exact Mass150.01
IUPAC Name3,4-diisocyanatofuran
SMILESO=C=Nc1cocc1N=C=O
InChIInChI=1S/C6H2N2O3/c9-3-7-5-1-11-2-6(5)8-4-10/h1-2H
InChIKeyNIIPPFUUAXTTSY-UHFFFAOYSA-N
XLogP1.21
TPSA72.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.09
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-diisocyanatofuran?
The IUPAC name of 3,4-diisocyanatofuran (CID 119094245) is 3,4-diisocyanatofuran.
What is the SMILES notation for 3,4-diisocyanatofuran?
The canonical SMILES for 3,4-diisocyanatofuran is O=C=Nc1cocc1N=C=O.
What is the InChIKey of 3,4-diisocyanatofuran?
The InChIKey is NIIPPFUUAXTTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2N2O3/c9-3-7-5-1-11-2-6(5)8-4-10/h1-2H.
What are the key properties of 3,4-diisocyanatofuran?
3,4-diisocyanatofuran has a molecular weight of 150.09 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diisocyanatofuran is sourced from PubChem (CID 119094245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).