3-amino-4-hydroxypent-4-en-2-one;hydrochloride

C5H10ClNO2 — CID 171991279

IUPAC3-amino-4-hydroxypent-4-en-2-one;hydrochloride
SMILESC=C(O)C(N)C(C)=O.Cl
InChIInChI=1S/C5H9NO2.ClH/c1-3(7)5(6)4(2)8;/h5,7H,1,6H2,2H3;1H
InChIKeyZSHSMRJZEFISLF-UHFFFAOYSA-N
MW151.59 g/mol
LogP0.40
Rot. Bonds2

About 3-amino-4-hydroxypent-4-en-2-one;hydrochloride

3-amino-4-hydroxypent-4-en-2-one;hydrochloride (PubChem CID 171991279) has the molecular formula C5H10ClNO2 and a molecular weight of 151.59 g/mol. Its IUPAC name is 3-amino-4-hydroxypent-4-en-2-one;hydrochloride.

Molecular Properties

Compound Name3-amino-4-hydroxypent-4-en-2-one;hydrochloride
PubChem CID171991279
Molecular FormulaC5H10ClNO2
Molecular Weight151.59 g/mol
Exact Mass151.04
IUPAC Name3-amino-4-hydroxypent-4-en-2-one;hydrochloride
SMILESC=C(O)C(N)C(C)=O.Cl
InChIInChI=1S/C5H9NO2.ClH/c1-3(7)5(6)4(2)8;/h5,7H,1,6H2,2H3;1H
InChIKeyZSHSMRJZEFISLF-UHFFFAOYSA-N
XLogP0.40
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.59
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydroxypent-4-en-2-one;hydrochloride?
The IUPAC name of 3-amino-4-hydroxypent-4-en-2-one;hydrochloride (CID 171991279) is 3-amino-4-hydroxypent-4-en-2-one;hydrochloride.
What is the SMILES notation for 3-amino-4-hydroxypent-4-en-2-one;hydrochloride?
The canonical SMILES for 3-amino-4-hydroxypent-4-en-2-one;hydrochloride is C=C(O)C(N)C(C)=O.Cl.
What is the InChIKey of 3-amino-4-hydroxypent-4-en-2-one;hydrochloride?
The InChIKey is ZSHSMRJZEFISLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.ClH/c1-3(7)5(6)4(2)8;/h5,7H,1,6H2,2H3;1H.
What are the key properties of 3-amino-4-hydroxypent-4-en-2-one;hydrochloride?
3-amino-4-hydroxypent-4-en-2-one;hydrochloride has a molecular weight of 151.59 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-hydroxypent-4-en-2-one;hydrochloride is sourced from PubChem (CID 171991279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).