1-aminopentan-3-one;hydrochloride

C5H12ClNO — CID 84750972

IUPAC1-aminopentan-3-one;hydrochloride
SMILESCCC(=O)CCN.Cl
InChIInChI=1S/C5H11NO.ClH/c1-2-5(7)3-4-6;/h2-4,6H2,1H3;1H
InChIKeyZLXCNGONEBPMLM-UHFFFAOYSA-N
MW137.61 g/mol
LogP0.74
Rot. Bonds3

About 1-aminopentan-3-one;hydrochloride

1-aminopentan-3-one;hydrochloride (PubChem CID 84750972) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is 1-aminopentan-3-one;hydrochloride.

Molecular Properties

Compound Name1-aminopentan-3-one;hydrochloride
PubChem CID84750972
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Name1-aminopentan-3-one;hydrochloride
SMILESCCC(=O)CCN.Cl
InChIInChI=1S/C5H11NO.ClH/c1-2-5(7)3-4-6;/h2-4,6H2,1H3;1H
InChIKeyZLXCNGONEBPMLM-UHFFFAOYSA-N
XLogP0.74
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-aminopentan-3-one;hydrochloride?
The IUPAC name of 1-aminopentan-3-one;hydrochloride (CID 84750972) is 1-aminopentan-3-one;hydrochloride.
What is the SMILES notation for 1-aminopentan-3-one;hydrochloride?
The canonical SMILES for 1-aminopentan-3-one;hydrochloride is CCC(=O)CCN.Cl.
What is the InChIKey of 1-aminopentan-3-one;hydrochloride?
The InChIKey is ZLXCNGONEBPMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.ClH/c1-2-5(7)3-4-6;/h2-4,6H2,1H3;1H.
What are the key properties of 1-aminopentan-3-one;hydrochloride?
1-aminopentan-3-one;hydrochloride has a molecular weight of 137.61 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopentan-3-one;hydrochloride is sourced from PubChem (CID 84750972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).