2-(3H-furan-2-ylidene)propanedinitrile

C7H4N2O — CID 18513250

IUPAC2-(3H-furan-2-ylidene)propanedinitrile
SMILESN#CC(C#N)=C1CC=CO1
InChIInChI=1S/C7H4N2O/c8-4-6(5-9)7-2-1-3-10-7/h1,3H,2H2
InChIKeyVSOKESYUJDXOOC-UHFFFAOYSA-N
MW132.12 g/mol
LogP1.22
Rot. Bonds

About 2-(3H-furan-2-ylidene)propanedinitrile

2-(3H-furan-2-ylidene)propanedinitrile (PubChem CID 18513250) has the molecular formula C7H4N2O and a molecular weight of 132.12 g/mol. Its IUPAC name is 2-(3H-furan-2-ylidene)propanedinitrile.

Molecular Properties

Compound Name2-(3H-furan-2-ylidene)propanedinitrile
PubChem CID18513250
Molecular FormulaC7H4N2O
Molecular Weight132.12 g/mol
Exact Mass132.03
IUPAC Name2-(3H-furan-2-ylidene)propanedinitrile
SMILESN#CC(C#N)=C1CC=CO1
InChIInChI=1S/C7H4N2O/c8-4-6(5-9)7-2-1-3-10-7/h1,3H,2H2
InChIKeyVSOKESYUJDXOOC-UHFFFAOYSA-N
XLogP1.22
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 51.22
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-(3H-furan-2-ylidene)propanedinitrile?
The IUPAC name of 2-(3H-furan-2-ylidene)propanedinitrile (CID 18513250) is 2-(3H-furan-2-ylidene)propanedinitrile.
What is the SMILES notation for 2-(3H-furan-2-ylidene)propanedinitrile?
The canonical SMILES for 2-(3H-furan-2-ylidene)propanedinitrile is N#CC(C#N)=C1CC=CO1.
What is the InChIKey of 2-(3H-furan-2-ylidene)propanedinitrile?
The InChIKey is VSOKESYUJDXOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O/c8-4-6(5-9)7-2-1-3-10-7/h1,3H,2H2.
What are the key properties of 2-(3H-furan-2-ylidene)propanedinitrile?
2-(3H-furan-2-ylidene)propanedinitrile has a molecular weight of 132.12 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-furan-2-ylidene)propanedinitrile is sourced from PubChem (CID 18513250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).