pyran-4,4-dicarbonitrile

C7H4N2O — CID 54281699

IUPACpyran-4,4-dicarbonitrile
SMILESN#CC1(C#N)C=COC=C1
InChIInChI=1S/C7H4N2O/c8-5-7(6-9)1-3-10-4-2-7/h1-4H
InChIKeyRRFLHXVHDRNLCC-UHFFFAOYSA-N
MW132.12 g/mol
LogP1.08
Rot. Bonds

About pyran-4,4-dicarbonitrile

pyran-4,4-dicarbonitrile (PubChem CID 54281699) has the molecular formula C7H4N2O and a molecular weight of 132.12 g/mol. Its IUPAC name is pyran-4,4-dicarbonitrile.

Molecular Properties

Compound Namepyran-4,4-dicarbonitrile
PubChem CID54281699
Molecular FormulaC7H4N2O
Molecular Weight132.12 g/mol
Exact Mass132.03
IUPAC Namepyran-4,4-dicarbonitrile
SMILESN#CC1(C#N)C=COC=C1
InChIInChI=1S/C7H4N2O/c8-5-7(6-9)1-3-10-4-2-7/h1-4H
InChIKeyRRFLHXVHDRNLCC-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyran-4,4-dicarbonitrile?
The IUPAC name of pyran-4,4-dicarbonitrile (CID 54281699) is pyran-4,4-dicarbonitrile.
What is the SMILES notation for pyran-4,4-dicarbonitrile?
The canonical SMILES for pyran-4,4-dicarbonitrile is N#CC1(C#N)C=COC=C1.
What is the InChIKey of pyran-4,4-dicarbonitrile?
The InChIKey is RRFLHXVHDRNLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O/c8-5-7(6-9)1-3-10-4-2-7/h1-4H.
What are the key properties of pyran-4,4-dicarbonitrile?
pyran-4,4-dicarbonitrile has a molecular weight of 132.12 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyran-4,4-dicarbonitrile is sourced from PubChem (CID 54281699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).