2-prop-2-enyl-1H-pyridin-2-ol

C8H11NO — CID 67378127

IUPAC2-prop-2-enyl-1H-pyridin-2-ol
SMILESC=CCC1(O)C=CC=CN1
InChIInChI=1S/C8H11NO/c1-2-5-8(10)6-3-4-7-9-8/h2-4,6-7,9-10H,1,5H2
InChIKeyQTGHRTLJXBZZJG-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.92
Rot. Bonds2

About 2-prop-2-enyl-1H-pyridin-2-ol

2-prop-2-enyl-1H-pyridin-2-ol (PubChem CID 67378127) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2-prop-2-enyl-1H-pyridin-2-ol.

Molecular Properties

Compound Name2-prop-2-enyl-1H-pyridin-2-ol
PubChem CID67378127
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2-prop-2-enyl-1H-pyridin-2-ol
SMILESC=CCC1(O)C=CC=CN1
InChIInChI=1S/C8H11NO/c1-2-5-8(10)6-3-4-7-9-8/h2-4,6-7,9-10H,1,5H2
InChIKeyQTGHRTLJXBZZJG-UHFFFAOYSA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.92
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 2-prop-2-enyl-1H-pyridin-2-ol?
The IUPAC name of 2-prop-2-enyl-1H-pyridin-2-ol (CID 67378127) is 2-prop-2-enyl-1H-pyridin-2-ol.
What is the SMILES notation for 2-prop-2-enyl-1H-pyridin-2-ol?
The canonical SMILES for 2-prop-2-enyl-1H-pyridin-2-ol is C=CCC1(O)C=CC=CN1.
What is the InChIKey of 2-prop-2-enyl-1H-pyridin-2-ol?
The InChIKey is QTGHRTLJXBZZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-5-8(10)6-3-4-7-9-8/h2-4,6-7,9-10H,1,5H2.
What are the key properties of 2-prop-2-enyl-1H-pyridin-2-ol?
2-prop-2-enyl-1H-pyridin-2-ol has a molecular weight of 137.18 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-1H-pyridin-2-ol is sourced from PubChem (CID 67378127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).