propanenitrile bromide

C3H5BrN- — CID 19792087

IUPACpropanenitrile bromide
SMILESCCC#N.[Br-]
InChIInChI=1S/C3H5N.BrH/c1-2-3-4;/h2H2,1H3;1H/p-1
InChIKeyWVXSGWLAAUQGFR-UHFFFAOYSA-M
MW134.98 g/mol
LogP-2.08
Rot. Bonds

About propanenitrile bromide

propanenitrile bromide (PubChem CID 19792087) has the molecular formula C3H5BrN- and a molecular weight of 134.98 g/mol. Its IUPAC name is propanenitrile bromide.

Molecular Properties

Compound Namepropanenitrile bromide
PubChem CID19792087
Molecular FormulaC3H5BrN-
Molecular Weight134.98 g/mol
Exact Mass133.96
IUPAC Namepropanenitrile bromide
SMILESCCC#N.[Br-]
InChIInChI=1S/C3H5N.BrH/c1-2-3-4;/h2H2,1H3;1H/p-1
InChIKeyWVXSGWLAAUQGFR-UHFFFAOYSA-M
XLogP-2.08
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.98
LogP ≤ 5-2.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propanenitrile bromide?
The IUPAC name of propanenitrile bromide (CID 19792087) is propanenitrile bromide.
What is the SMILES notation for propanenitrile bromide?
The canonical SMILES for propanenitrile bromide is CCC#N.[Br-].
What is the InChIKey of propanenitrile bromide?
The InChIKey is WVXSGWLAAUQGFR-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H5N.BrH/c1-2-3-4;/h2H2,1H3;1H/p-1.
What are the key properties of propanenitrile bromide?
propanenitrile bromide has a molecular weight of 134.98 g/mol, XLogP of -2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propanenitrile bromide is sourced from PubChem (CID 19792087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).