2-[bis(furan-2-ylmethoxy)methylidene]propanedinitrile

C14H10N2O4 — CID 16790081

IUPAC2-[bis(furan-2-ylmethoxy)methylidene]propanedinitrile
SMILESN#CC(C#N)=C(OCc1ccco1)OCc1ccco1
InChIInChI=1S/C14H10N2O4/c15-7-11(8-16)14(19-9-12-3-1-5-17-12)20-10-13-4-2-6-18-13/h1-6H,9-10H2
InChIKeyKPTGVKWCIYZUML-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.86
Rot. Bonds6

About 2-[bis(furan-2-ylmethoxy)methylidene]propanedinitrile

2-[bis(furan-2-ylmethoxy)methylidene]propanedinitrile (PubChem CID 16790081) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 2-[bis(furan-2-ylmethoxy)methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[bis(furan-2-ylmethoxy)methylidene]propanedinitrile
PubChem CID16790081
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name2-[bis(furan-2-ylmethoxy)methylidene]propanedinitrile
SMILESN#CC(C#N)=C(OCc1ccco1)OCc1ccco1
InChIInChI=1S/C14H10N2O4/c15-7-11(8-16)14(19-9-12-3-1-5-17-12)20-10-13-4-2-6-18-13/h1-6H,9-10H2
InChIKeyKPTGVKWCIYZUML-UHFFFAOYSA-N
XLogP2.86
TPSA92.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze 2-[bis(furan-2-ylmethoxy)methylidene]propanedinitrile 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 2-[bis(furan-2-ylmethoxy)methylidene]propanedinitrile?
The IUPAC name of 2-[bis(furan-2-ylmethoxy)methylidene]propanedinitrile (CID 16790081) is 2-[bis(furan-2-ylmethoxy)methylidene]propanedinitrile.
What is the SMILES notation for 2-[bis(furan-2-ylmethoxy)methylidene]propanedinitrile?
The canonical SMILES for 2-[bis(furan-2-ylmethoxy)methylidene]propanedinitrile is N#CC(C#N)=C(OCc1ccco1)OCc1ccco1.
What is the InChIKey of 2-[bis(furan-2-ylmethoxy)methylidene]propanedinitrile?
The InChIKey is KPTGVKWCIYZUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c15-7-11(8-16)14(19-9-12-3-1-5-17-12)20-10-13-4-2-6-18-13/h1-6H,9-10H2.
What are the key properties of 2-[bis(furan-2-ylmethoxy)methylidene]propanedinitrile?
2-[bis(furan-2-ylmethoxy)methylidene]propanedinitrile has a molecular weight of 270.24 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(furan-2-ylmethoxy)methylidene]propanedinitrile is sourced from PubChem (CID 16790081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).