furan;propanedinitrile

C7H6N2O — CID 174894432

IUPACfuran;propanedinitrile
SMILESN#CCC#N.c1ccoc1
InChIInChI=1S/C4H4O.C3H2N2/c1-2-4-5-3-1;4-2-1-3-5/h1-4H;1H2
InChIKeyBDTAZKNGVMHWOP-UHFFFAOYSA-N
MW134.14 g/mol
LogP1.70
Rot. Bonds

About furan;propanedinitrile

furan;propanedinitrile (PubChem CID 174894432) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is furan;propanedinitrile.

Molecular Properties

Compound Namefuran;propanedinitrile
PubChem CID174894432
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Namefuran;propanedinitrile
SMILESN#CCC#N.c1ccoc1
InChIInChI=1S/C4H4O.C3H2N2/c1-2-4-5-3-1;4-2-1-3-5/h1-4H;1H2
InChIKeyBDTAZKNGVMHWOP-UHFFFAOYSA-N
XLogP1.70
TPSA60.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furan;propanedinitrile?
The IUPAC name of furan;propanedinitrile (CID 174894432) is furan;propanedinitrile.
What is the SMILES notation for furan;propanedinitrile?
The canonical SMILES for furan;propanedinitrile is N#CCC#N.c1ccoc1.
What is the InChIKey of furan;propanedinitrile?
The InChIKey is BDTAZKNGVMHWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O.C3H2N2/c1-2-4-5-3-1;4-2-1-3-5/h1-4H;1H2.
What are the key properties of furan;propanedinitrile?
furan;propanedinitrile has a molecular weight of 134.14 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan;propanedinitrile is sourced from PubChem (CID 174894432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).