phenacylazanium chloride

C8H10ClNO — CID 21641

IUPACphenacylazanium chloride
SMILES[Cl-].[NH3+]CC(=O)c1ccccc1
InChIInChI=1S/C8H9NO.ClH/c9-6-8(10)7-4-2-1-3-5-7;/h1-5H,6,9H2;1H
InChIKeyCVXGFPPAIUELDV-UHFFFAOYSA-N
MW171.63 g/mol
LogP-2.88
Rot. Bonds2

About phenacylazanium chloride

phenacylazanium chloride (PubChem CID 21641) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is phenacylazanium chloride.

Molecular Properties

Compound Namephenacylazanium chloride
PubChem CID21641
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Namephenacylazanium chloride
SMILES[Cl-].[NH3+]CC(=O)c1ccccc1
InChIInChI=1S/C8H9NO.ClH/c9-6-8(10)7-4-2-1-3-5-7;/h1-5H,6,9H2;1H
InChIKeyCVXGFPPAIUELDV-UHFFFAOYSA-N
XLogP-2.88
TPSA44.71 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 5-2.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of phenacylazanium chloride?
The IUPAC name of phenacylazanium chloride (CID 21641) is phenacylazanium chloride.
What is the SMILES notation for phenacylazanium chloride?
The canonical SMILES for phenacylazanium chloride is [Cl-].[NH3+]CC(=O)c1ccccc1.
What is the InChIKey of phenacylazanium chloride?
The InChIKey is CVXGFPPAIUELDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.ClH/c9-6-8(10)7-4-2-1-3-5-7;/h1-5H,6,9H2;1H.
What are the key properties of phenacylazanium chloride?
phenacylazanium chloride has a molecular weight of 171.63 g/mol, XLogP of -2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenacylazanium chloride is sourced from PubChem (CID 21641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).