(3S)-5-aminopent-1-en-3-ol;hydrochloride

C5H12ClNO — CID 11499226

IUPAC(3S)-5-aminopent-1-en-3-ol;hydrochloride
SMILESC=C[C@@H](O)CCN.Cl
InChIInChI=1S/C5H11NO.ClH/c1-2-5(7)3-4-6;/h2,5,7H,1,3-4,6H2;1H/t5-;/m1./s1
InChIKeyAMTICPJYEAGNOB-NUBCRITNSA-N
MW137.61 g/mol
LogP0.30
Rot. Bonds3

About (3S)-5-aminopent-1-en-3-ol;hydrochloride

(3S)-5-aminopent-1-en-3-ol;hydrochloride (PubChem CID 11499226) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is (3S)-5-aminopent-1-en-3-ol;hydrochloride.

Molecular Properties

Compound Name(3S)-5-aminopent-1-en-3-ol;hydrochloride
PubChem CID11499226
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Name(3S)-5-aminopent-1-en-3-ol;hydrochloride
SMILESC=C[C@@H](O)CCN.Cl
InChIInChI=1S/C5H11NO.ClH/c1-2-5(7)3-4-6;/h2,5,7H,1,3-4,6H2;1H/t5-;/m1./s1
InChIKeyAMTICPJYEAGNOB-NUBCRITNSA-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 (3S)-5-aminopent-1-en-3-ol;hydrochloride?
The IUPAC name of (3S)-5-aminopent-1-en-3-ol;hydrochloride (CID 11499226) is (3S)-5-aminopent-1-en-3-ol;hydrochloride.
What is the SMILES notation for (3S)-5-aminopent-1-en-3-ol;hydrochloride?
The canonical SMILES for (3S)-5-aminopent-1-en-3-ol;hydrochloride is C=C[C@@H](O)CCN.Cl.
What is the InChIKey of (3S)-5-aminopent-1-en-3-ol;hydrochloride?
The InChIKey is AMTICPJYEAGNOB-NUBCRITNSA-N. The full InChI is InChI=1S/C5H11NO.ClH/c1-2-5(7)3-4-6;/h2,5,7H,1,3-4,6H2;1H/t5-;/m1./s1.
What are the key properties of (3S)-5-aminopent-1-en-3-ol;hydrochloride?
(3S)-5-aminopent-1-en-3-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 (3S)-5-aminopent-1-en-3-ol;hydrochloride is sourced from PubChem (CID 11499226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).