propanamide;dihydrochloride

C3H9Cl2NO — CID 22563731

IUPACpropanamide;dihydrochloride
SMILESCCC(N)=O.Cl.Cl
InChIInChI=1S/C3H7NO.2ClH/c1-2-3(4)5;;/h2H2,1H3,(H2,4,5);2*1H
InChIKeyUUMZDXBZTGNJDF-UHFFFAOYSA-N
MW146.02 g/mol
LogP0.73
Rot. Bonds1

About propanamide;dihydrochloride

propanamide;dihydrochloride (PubChem CID 22563731) has the molecular formula C3H9Cl2NO and a molecular weight of 146.02 g/mol. Its IUPAC name is propanamide;dihydrochloride.

Molecular Properties

Compound Namepropanamide;dihydrochloride
PubChem CID22563731
Molecular FormulaC3H9Cl2NO
Molecular Weight146.02 g/mol
Exact Mass145.01
IUPAC Namepropanamide;dihydrochloride
SMILESCCC(N)=O.Cl.Cl
InChIInChI=1S/C3H7NO.2ClH/c1-2-3(4)5;;/h2H2,1H3,(H2,4,5);2*1H
InChIKeyUUMZDXBZTGNJDF-UHFFFAOYSA-N
XLogP0.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.02
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propanamide;dihydrochloride?
The IUPAC name of propanamide;dihydrochloride (CID 22563731) is propanamide;dihydrochloride.
What is the SMILES notation for propanamide;dihydrochloride?
The canonical SMILES for propanamide;dihydrochloride is CCC(N)=O.Cl.Cl.
What is the InChIKey of propanamide;dihydrochloride?
The InChIKey is UUMZDXBZTGNJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.2ClH/c1-2-3(4)5;;/h2H2,1H3,(H2,4,5);2*1H.
What are the key properties of propanamide;dihydrochloride?
propanamide;dihydrochloride has a molecular weight of 146.02 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propanamide;dihydrochloride is sourced from PubChem (CID 22563731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).