1-prop-2-enylpyridin-1-ium-4-ol;hydrochloride

C8H11ClNO+ — CID 67726467

IUPAC1-prop-2-enylpyridin-1-ium-4-ol;hydrochloride
SMILESC=CC[n+]1ccc(O)cc1.Cl
InChIInChI=1S/C8H9NO.ClH/c1-2-5-9-6-3-8(10)4-7-9;/h2-4,6-7H,1,5H2;1H/p+1
InChIKeyUYHPJITVDSXYQD-UHFFFAOYSA-O
MW172.63 g/mol
LogP1.29
Rot. Bonds2

About 1-prop-2-enylpyridin-1-ium-4-ol;hydrochloride

1-prop-2-enylpyridin-1-ium-4-ol;hydrochloride (PubChem CID 67726467) has the molecular formula C8H11ClNO+ and a molecular weight of 172.63 g/mol. Its IUPAC name is 1-prop-2-enylpyridin-1-ium-4-ol;hydrochloride.

Molecular Properties

Compound Name1-prop-2-enylpyridin-1-ium-4-ol;hydrochloride
PubChem CID67726467
Molecular FormulaC8H11ClNO+
Molecular Weight172.63 g/mol
Exact Mass172.05
IUPAC Name1-prop-2-enylpyridin-1-ium-4-ol;hydrochloride
SMILESC=CC[n+]1ccc(O)cc1.Cl
InChIInChI=1S/C8H9NO.ClH/c1-2-5-9-6-3-8(10)4-7-9;/h2-4,6-7H,1,5H2;1H/p+1
InChIKeyUYHPJITVDSXYQD-UHFFFAOYSA-O
XLogP1.29
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.63
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylpyridin-1-ium-4-ol;hydrochloride?
The IUPAC name of 1-prop-2-enylpyridin-1-ium-4-ol;hydrochloride (CID 67726467) is 1-prop-2-enylpyridin-1-ium-4-ol;hydrochloride.
What is the SMILES notation for 1-prop-2-enylpyridin-1-ium-4-ol;hydrochloride?
The canonical SMILES for 1-prop-2-enylpyridin-1-ium-4-ol;hydrochloride is C=CC[n+]1ccc(O)cc1.Cl.
What is the InChIKey of 1-prop-2-enylpyridin-1-ium-4-ol;hydrochloride?
The InChIKey is UYHPJITVDSXYQD-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9NO.ClH/c1-2-5-9-6-3-8(10)4-7-9;/h2-4,6-7H,1,5H2;1H/p+1.
What are the key properties of 1-prop-2-enylpyridin-1-ium-4-ol;hydrochloride?
1-prop-2-enylpyridin-1-ium-4-ol;hydrochloride has a molecular weight of 172.63 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylpyridin-1-ium-4-ol;hydrochloride is sourced from PubChem (CID 67726467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).