4-aminopentan-2-one;hydrochloride

C5H12ClNO — CID 71756906

IUPAC4-aminopentan-2-one;hydrochloride
SMILESCC(=O)CC(C)N.Cl
InChIInChI=1S/C5H11NO.ClH/c1-4(6)3-5(2)7;/h4H,3,6H2,1-2H3;1H
InChIKeyIWMBJCDJMBTWMV-UHFFFAOYSA-N
MW137.61 g/mol
LogP0.73
Rot. Bonds2

About 4-aminopentan-2-one;hydrochloride

4-aminopentan-2-one;hydrochloride (PubChem CID 71756906) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is 4-aminopentan-2-one;hydrochloride.

Molecular Properties

Compound Name4-aminopentan-2-one;hydrochloride
PubChem CID71756906
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Name4-aminopentan-2-one;hydrochloride
SMILESCC(=O)CC(C)N.Cl
InChIInChI=1S/C5H11NO.ClH/c1-4(6)3-5(2)7;/h4H,3,6H2,1-2H3;1H
InChIKeyIWMBJCDJMBTWMV-UHFFFAOYSA-N
XLogP0.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-aminopentan-2-one;hydrochloride?
The IUPAC name of 4-aminopentan-2-one;hydrochloride (CID 71756906) is 4-aminopentan-2-one;hydrochloride.
What is the SMILES notation for 4-aminopentan-2-one;hydrochloride?
The canonical SMILES for 4-aminopentan-2-one;hydrochloride is CC(=O)CC(C)N.Cl.
What is the InChIKey of 4-aminopentan-2-one;hydrochloride?
The InChIKey is IWMBJCDJMBTWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.ClH/c1-4(6)3-5(2)7;/h4H,3,6H2,1-2H3;1H.
What are the key properties of 4-aminopentan-2-one;hydrochloride?
4-aminopentan-2-one;hydrochloride has a molecular weight of 137.61 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopentan-2-one;hydrochloride is sourced from PubChem (CID 71756906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).