bis(acetonitrile);hydrochloride

C4H7ClN2 — CID 87318986

IUPACbis(acetonitrile);hydrochloride
SMILESCC#N.CC#N.Cl
InChIInChI=1S/2C2H3N.ClH/c2*1-2-3;/h2*1H3;1H
InChIKeyGJIPQMIKIQFFQL-UHFFFAOYSA-N
MW118.57 g/mol
LogP1.48
Rot. Bonds

About bis(acetonitrile);hydrochloride

bis(acetonitrile);hydrochloride (PubChem CID 87318986) has the molecular formula C4H7ClN2 and a molecular weight of 118.57 g/mol. Its IUPAC name is bis(acetonitrile);hydrochloride.

Molecular Properties

Compound Namebis(acetonitrile);hydrochloride
PubChem CID87318986
Molecular FormulaC4H7ClN2
Molecular Weight118.57 g/mol
Exact Mass118.03
IUPAC Namebis(acetonitrile);hydrochloride
SMILESCC#N.CC#N.Cl
InChIInChI=1S/2C2H3N.ClH/c2*1-2-3;/h2*1H3;1H
InChIKeyGJIPQMIKIQFFQL-UHFFFAOYSA-N
XLogP1.48
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.57
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);hydrochloride?
The IUPAC name of bis(acetonitrile);hydrochloride (CID 87318986) is bis(acetonitrile);hydrochloride.
What is the SMILES notation for bis(acetonitrile);hydrochloride?
The canonical SMILES for bis(acetonitrile);hydrochloride is CC#N.CC#N.Cl.
What is the InChIKey of bis(acetonitrile);hydrochloride?
The InChIKey is GJIPQMIKIQFFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H3N.ClH/c2*1-2-3;/h2*1H3;1H.
What are the key properties of bis(acetonitrile);hydrochloride?
bis(acetonitrile);hydrochloride has a molecular weight of 118.57 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);hydrochloride is sourced from PubChem (CID 87318986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).