2-aminobut-3-en-1-ol;hydrochloride

C4H10ClNO — CID 13247017

IUPAC2-aminobut-3-en-1-ol;hydrochloride
SMILESC=CC(N)CO.Cl
InChIInChI=1S/C4H9NO.ClH/c1-2-4(5)3-6;/h2,4,6H,1,3,5H2;1H
InChIKeyDWGZNOXQUQANQJ-UHFFFAOYSA-N
MW123.58 g/mol
LogP-0.09
Rot. Bonds2

About 2-aminobut-3-en-1-ol;hydrochloride

2-aminobut-3-en-1-ol;hydrochloride (PubChem CID 13247017) has the molecular formula C4H10ClNO and a molecular weight of 123.58 g/mol. Its IUPAC name is 2-aminobut-3-en-1-ol;hydrochloride.

Molecular Properties

Compound Name2-aminobut-3-en-1-ol;hydrochloride
PubChem CID13247017
Molecular FormulaC4H10ClNO
Molecular Weight123.58 g/mol
Exact Mass123.05
IUPAC Name2-aminobut-3-en-1-ol;hydrochloride
SMILESC=CC(N)CO.Cl
InChIInChI=1S/C4H9NO.ClH/c1-2-4(5)3-6;/h2,4,6H,1,3,5H2;1H
InChIKeyDWGZNOXQUQANQJ-UHFFFAOYSA-N
XLogP-0.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.58
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-aminobut-3-en-1-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-aminobut-3-en-1-ol;hydrochloride?
The IUPAC name of 2-aminobut-3-en-1-ol;hydrochloride (CID 13247017) is 2-aminobut-3-en-1-ol;hydrochloride.
What is the SMILES notation for 2-aminobut-3-en-1-ol;hydrochloride?
The canonical SMILES for 2-aminobut-3-en-1-ol;hydrochloride is C=CC(N)CO.Cl.
What is the InChIKey of 2-aminobut-3-en-1-ol;hydrochloride?
The InChIKey is DWGZNOXQUQANQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.ClH/c1-2-4(5)3-6;/h2,4,6H,1,3,5H2;1H.
What are the key properties of 2-aminobut-3-en-1-ol;hydrochloride?
2-aminobut-3-en-1-ol;hydrochloride has a molecular weight of 123.58 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobut-3-en-1-ol;hydrochloride is sourced from PubChem (CID 13247017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).