5-hydroxypent-1-en-3-ylazanium chloride

C5H12ClNO — CID 88648350

IUPAC5-hydroxypent-1-en-3-ylazanium chloride
SMILESC=CC([NH3+])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
LogP-3.83
Rot. Bonds3

About 5-hydroxypent-1-en-3-ylazanium chloride

5-hydroxypent-1-en-3-ylazanium chloride (PubChem CID 88648350) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is 5-hydroxypent-1-en-3-ylazanium chloride.

Molecular Properties

Compound Name5-hydroxypent-1-en-3-ylazanium chloride
PubChem CID88648350
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Name5-hydroxypent-1-en-3-ylazanium chloride
SMILESC=CC([NH3+])CCO.[Cl-]
InChIInChI=1S/C5H11NO.ClH/c1-2-5(6)3-4-7;/h2,5,7H,1,3-4,6H2;1H
InChIKeyHKDGIHICLPRJTI-UHFFFAOYSA-N
XLogP-3.83
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 5-3.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-aminopent-4-en-1-ol
CID 55265696
(2S)-2-aminopent-4-en-1-ol
CID 11194299
(2R)-2-Aminobut-3-en-1-ol--hydrogen chloride (1/1)
CID 44891229
2-Aminopent-4-en-1-ol hydrochloride
CID 75480794
(R)-2-Aminobut-3-en-1-ol
CID 5702635
AC1MC1CR
CID 2734533
[(2S)-1-hydroxybut-3-en-2-yl]azanium chloride
CID 11073411
2-Aminobut-3-en-1-ol
CID 13247016
3-Aminopent-4-en-1-ol
CID 15533288
2-Aminopent-4-en-1-ol
CID 20064163
(R)-2-Aminopent-4-en-1-ol hydrochloride
CID 55265695
1-Hydroxybut-3-en-2-ylazanium
CID 74447086

Frequently Asked Questions

What is the IUPAC name of 5-hydroxypent-1-en-3-ylazanium chloride?
The IUPAC name of 5-hydroxypent-1-en-3-ylazanium chloride (CID 88648350) is 5-hydroxypent-1-en-3-ylazanium chloride.
What is the SMILES notation for 5-hydroxypent-1-en-3-ylazanium chloride?
The canonical SMILES for 5-hydroxypent-1-en-3-ylazanium chloride is C=CC([NH3+])CCO.[Cl-].
What is the InChIKey of 5-hydroxypent-1-en-3-ylazanium chloride?
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 5-hydroxypent-1-en-3-ylazanium chloride?
5-hydroxypent-1-en-3-ylazanium chloride has a molecular weight of 137.61 g/mol, XLogP of -3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypent-1-en-3-ylazanium chloride is sourced from PubChem (CID 88648350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).