propanoylchloranium

C3H6ClO+ — CID 20732317

IUPACpropanoylchloranium
SMILESCCC(=O)[ClH+]
InChIInChI=1S/C3H6ClO/c1-2-3(4)5/h4H,2H2,1H3/q+1
InChIKeyBBDQTRIONCNOTJ-UHFFFAOYSA-N
MW93.53 g/mol
LogP0.20
Rot. Bonds1

About propanoylchloranium

propanoylchloranium (PubChem CID 20732317) has the molecular formula C3H6ClO+ and a molecular weight of 93.53 g/mol. Its IUPAC name is propanoylchloranium.

Molecular Properties

Compound Namepropanoylchloranium
PubChem CID20732317
Molecular FormulaC3H6ClO+
Molecular Weight93.53 g/mol
Exact Mass93.01
IUPAC Namepropanoylchloranium
SMILESCCC(=O)[ClH+]
InChIInChI=1S/C3H6ClO/c1-2-3(4)5/h4H,2H2,1H3/q+1
InChIKeyBBDQTRIONCNOTJ-UHFFFAOYSA-N
XLogP0.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.53
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propanoylchloranium?
The IUPAC name of propanoylchloranium (CID 20732317) is propanoylchloranium.
What is the SMILES notation for propanoylchloranium?
The canonical SMILES for propanoylchloranium is CCC(=O)[ClH+].
What is the InChIKey of propanoylchloranium?
The InChIKey is BBDQTRIONCNOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6ClO/c1-2-3(4)5/h4H,2H2,1H3/q+1.
What are the key properties of propanoylchloranium?
propanoylchloranium has a molecular weight of 93.53 g/mol, XLogP of 0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propanoylchloranium is sourced from PubChem (CID 20732317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).