formonitrile;propanenitrile

C4H6N2 — CID 174670578

IUPACformonitrile;propanenitrile
SMILESC#N.CCC#N
InChIInChI=1S/C3H5N.CHN/c1-2-3-4;1-2/h2H2,1H3;1H
InChIKeyQYOQPAAXAPNZST-UHFFFAOYSA-N
MW82.11 g/mol
LogP1.06
Rot. Bonds

About formonitrile;propanenitrile

formonitrile;propanenitrile (PubChem CID 174670578) has the molecular formula C4H6N2 and a molecular weight of 82.11 g/mol. Its IUPAC name is formonitrile;propanenitrile.

Molecular Properties

Compound Nameformonitrile;propanenitrile
PubChem CID174670578
Molecular FormulaC4H6N2
Molecular Weight82.11 g/mol
Exact Mass82.05
IUPAC Nameformonitrile;propanenitrile
SMILESC#N.CCC#N
InChIInChI=1S/C3H5N.CHN/c1-2-3-4;1-2/h2H2,1H3;1H
InChIKeyQYOQPAAXAPNZST-UHFFFAOYSA-N
XLogP1.06
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.11
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of formonitrile;propanenitrile?
The IUPAC name of formonitrile;propanenitrile (CID 174670578) is formonitrile;propanenitrile.
What is the SMILES notation for formonitrile;propanenitrile?
The canonical SMILES for formonitrile;propanenitrile is C#N.CCC#N.
What is the InChIKey of formonitrile;propanenitrile?
The InChIKey is QYOQPAAXAPNZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N.CHN/c1-2-3-4;1-2/h2H2,1H3;1H.
What are the key properties of formonitrile;propanenitrile?
formonitrile;propanenitrile has a molecular weight of 82.11 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formonitrile;propanenitrile is sourced from PubChem (CID 174670578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).