furan;propanenitrile

C7H9NO — CID 158391138

IUPACfuran;propanenitrile
SMILESCCC#N.c1ccoc1
InChIInChI=1S/C4H4O.C3H5N/c1-2-4-5-3-1;1-2-3-4/h1-4H;2H2,1H3
InChIKeyGWZCJQZLGUJVDN-UHFFFAOYSA-N
MW123.15 g/mol
LogP2.20
Rot. Bonds

About furan;propanenitrile

furan;propanenitrile (PubChem CID 158391138) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is furan;propanenitrile.

Molecular Properties

Compound Namefuran;propanenitrile
PubChem CID158391138
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Namefuran;propanenitrile
SMILESCCC#N.c1ccoc1
InChIInChI=1S/C4H4O.C3H5N/c1-2-4-5-3-1;1-2-3-4/h1-4H;2H2,1H3
InChIKeyGWZCJQZLGUJVDN-UHFFFAOYSA-N
XLogP2.20
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of furan;propanenitrile?
The IUPAC name of furan;propanenitrile (CID 158391138) is furan;propanenitrile.
What is the SMILES notation for furan;propanenitrile?
The canonical SMILES for furan;propanenitrile is CCC#N.c1ccoc1.
What is the InChIKey of furan;propanenitrile?
The InChIKey is GWZCJQZLGUJVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O.C3H5N/c1-2-4-5-3-1;1-2-3-4/h1-4H;2H2,1H3.
What are the key properties of furan;propanenitrile?
furan;propanenitrile has a molecular weight of 123.15 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan;propanenitrile is sourced from PubChem (CID 158391138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).