2-(furan-2-ylmethylidene)propanedinitrile

C8H4N2O — CID 18606

IUPAC2-(furan-2-ylmethylidene)propanedinitrile
SMILESN#CC(C#N)=Cc1ccco1
InChIInChI=1S/C8H4N2O/c9-5-7(6-10)4-8-2-1-3-11-8/h1-4H
InChIKeyCRUJHLHRJSNZIU-UHFFFAOYSA-N
MW144.13 g/mol
LogP1.71
Rot. Bonds1

About 2-(furan-2-ylmethylidene)propanedinitrile

2-(furan-2-ylmethylidene)propanedinitrile (PubChem CID 18606) has the molecular formula C8H4N2O and a molecular weight of 144.13 g/mol. Its IUPAC name is 2-(furan-2-ylmethylidene)propanedinitrile.

Molecular Properties

Compound Name2-(furan-2-ylmethylidene)propanedinitrile
PubChem CID18606
Molecular FormulaC8H4N2O
Molecular Weight144.13 g/mol
Exact Mass144.03
IUPAC Name2-(furan-2-ylmethylidene)propanedinitrile
SMILESN#CC(C#N)=Cc1ccco1
InChIInChI=1S/C8H4N2O/c9-5-7(6-10)4-8-2-1-3-11-8/h1-4H
InChIKeyCRUJHLHRJSNZIU-UHFFFAOYSA-N
XLogP1.71
TPSA60.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylidene)propanedinitrile?
The IUPAC name of 2-(furan-2-ylmethylidene)propanedinitrile (CID 18606) is 2-(furan-2-ylmethylidene)propanedinitrile.
What is the SMILES notation for 2-(furan-2-ylmethylidene)propanedinitrile?
The canonical SMILES for 2-(furan-2-ylmethylidene)propanedinitrile is N#CC(C#N)=Cc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethylidene)propanedinitrile?
The InChIKey is CRUJHLHRJSNZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N2O/c9-5-7(6-10)4-8-2-1-3-11-8/h1-4H.
What are the key properties of 2-(furan-2-ylmethylidene)propanedinitrile?
2-(furan-2-ylmethylidene)propanedinitrile has a molecular weight of 144.13 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylidene)propanedinitrile is sourced from PubChem (CID 18606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).