acetonitrile;hydron

C2H4N+ — CID 22154984

IUPACacetonitrile;hydron
SMILESCC#N.[H+]
InChIInChI=1S/C2H3N/c1-2-3/h1H3/p+1
InChIKeyWEVYAHXRMPXWCK-UHFFFAOYSA-O
MW42.06 g/mol
LogP0.64
Rot. Bonds

About acetonitrile;hydron

acetonitrile;hydron (PubChem CID 22154984) has the molecular formula C2H4N+ and a molecular weight of 42.06 g/mol. Its IUPAC name is acetonitrile;hydron.

Molecular Properties

Compound Nameacetonitrile;hydron
PubChem CID22154984
Molecular FormulaC2H4N+
Molecular Weight42.06 g/mol
Exact Mass42.03
IUPAC Nameacetonitrile;hydron
SMILESCC#N.[H+]
InChIInChI=1S/C2H3N/c1-2-3/h1H3/p+1
InChIKeyWEVYAHXRMPXWCK-UHFFFAOYSA-O
XLogP0.64
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50042.06
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;hydron?
The IUPAC name of acetonitrile;hydron (CID 22154984) is acetonitrile;hydron.
What is the SMILES notation for acetonitrile;hydron?
The canonical SMILES for acetonitrile;hydron is CC#N.[H+].
What is the InChIKey of acetonitrile;hydron?
The InChIKey is WEVYAHXRMPXWCK-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H3N/c1-2-3/h1H3/p+1.
What are the key properties of acetonitrile;hydron?
acetonitrile;hydron has a molecular weight of 42.06 g/mol, XLogP of 0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;hydron is sourced from PubChem (CID 22154984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).