3-aminopent-4-en-1-ol;hydrochloride

C5H12ClNO — CID 173402906

IUPAC3-aminopent-4-en-1-ol;hydrochloride
SMILESC=CC(N)CCO.Cl
InChIInChI=1S/C5H11NO.ClH/c1-2-5(6)3-4-7;/h2,5,7H,1,3-4,6H2;1H
InChIKeyHKDGIHICLPRJTI-UHFFFAOYSA-N
MW137.61 g/mol
LogP0.30
Rot. Bonds3

About 3-aminopent-4-en-1-ol;hydrochloride

3-aminopent-4-en-1-ol;hydrochloride (PubChem CID 173402906) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is 3-aminopent-4-en-1-ol;hydrochloride.

Molecular Properties

Compound Name3-aminopent-4-en-1-ol;hydrochloride
PubChem CID173402906
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Name3-aminopent-4-en-1-ol;hydrochloride
SMILESC=CC(N)CCO.Cl
InChIInChI=1S/C5H11NO.ClH/c1-2-5(6)3-4-7;/h2,5,7H,1,3-4,6H2;1H
InChIKeyHKDGIHICLPRJTI-UHFFFAOYSA-N
XLogP0.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-aminopent-4-en-1-ol;hydrochloride?
The IUPAC name of 3-aminopent-4-en-1-ol;hydrochloride (CID 173402906) is 3-aminopent-4-en-1-ol;hydrochloride.
What is the SMILES notation for 3-aminopent-4-en-1-ol;hydrochloride?
The canonical SMILES for 3-aminopent-4-en-1-ol;hydrochloride is C=CC(N)CCO.Cl.
What is the InChIKey of 3-aminopent-4-en-1-ol;hydrochloride?
The InChIKey is HKDGIHICLPRJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.ClH/c1-2-5(6)3-4-7;/h2,5,7H,1,3-4,6H2;1H.
What are the key properties of 3-aminopent-4-en-1-ol;hydrochloride?
3-aminopent-4-en-1-ol;hydrochloride has a molecular weight of 137.61 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopent-4-en-1-ol;hydrochloride is sourced from PubChem (CID 173402906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).