cyanomethylchloranium

C2H3ClN+ — CID 22982917

IUPACcyanomethylchloranium
SMILESN#CC[ClH+]
InChIInChI=1S/C2H3ClN/c3-1-2-4/h3H,1H2/q+1
InChIKeyIFIPNKCTBDDPCK-UHFFFAOYSA-N
MW76.51 g/mol
LogP-0.21
Rot. Bonds

About cyanomethylchloranium

cyanomethylchloranium (PubChem CID 22982917) has the molecular formula C2H3ClN+ and a molecular weight of 76.51 g/mol. Its IUPAC name is cyanomethylchloranium.

Molecular Properties

Compound Namecyanomethylchloranium
PubChem CID22982917
Molecular FormulaC2H3ClN+
Molecular Weight76.51 g/mol
Exact Mass75.99
IUPAC Namecyanomethylchloranium
SMILESN#CC[ClH+]
InChIInChI=1S/C2H3ClN/c3-1-2-4/h3H,1H2/q+1
InChIKeyIFIPNKCTBDDPCK-UHFFFAOYSA-N
XLogP-0.21
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.51
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyanomethylchloranium?
The IUPAC name of cyanomethylchloranium (CID 22982917) is cyanomethylchloranium.
What is the SMILES notation for cyanomethylchloranium?
The canonical SMILES for cyanomethylchloranium is N#CC[ClH+].
What is the InChIKey of cyanomethylchloranium?
The InChIKey is IFIPNKCTBDDPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3ClN/c3-1-2-4/h3H,1H2/q+1.
What are the key properties of cyanomethylchloranium?
cyanomethylchloranium has a molecular weight of 76.51 g/mol, XLogP of -0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyanomethylchloranium is sourced from PubChem (CID 22982917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).