2-pyridin-4-ylprop-1-en-1-ol

C8H9NO — CID 136628397

IUPAC2-pyridin-4-ylprop-1-en-1-ol
SMILESCC(=CO)c1ccncc1
InChIInChI=1S/C8H9NO/c1-7(6-10)8-2-4-9-5-3-8/h2-6,10H,1H3
InChIKeySWKKHWXJYRLDJV-UHFFFAOYSA-N
MW135.17 g/mol
LogP2.00
Rot. Bonds1

About 2-pyridin-4-ylprop-1-en-1-ol

2-pyridin-4-ylprop-1-en-1-ol (PubChem CID 136628397) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-pyridin-4-ylprop-1-en-1-ol.

Molecular Properties

Compound Name2-pyridin-4-ylprop-1-en-1-ol
PubChem CID136628397
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name2-pyridin-4-ylprop-1-en-1-ol
SMILESCC(=CO)c1ccncc1
InChIInChI=1S/C8H9NO/c1-7(6-10)8-2-4-9-5-3-8/h2-6,10H,1H3
InChIKeySWKKHWXJYRLDJV-UHFFFAOYSA-N
XLogP2.00
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-ylprop-1-en-1-ol?
The IUPAC name of 2-pyridin-4-ylprop-1-en-1-ol (CID 136628397) is 2-pyridin-4-ylprop-1-en-1-ol.
What is the SMILES notation for 2-pyridin-4-ylprop-1-en-1-ol?
The canonical SMILES for 2-pyridin-4-ylprop-1-en-1-ol is CC(=CO)c1ccncc1.
What is the InChIKey of 2-pyridin-4-ylprop-1-en-1-ol?
The InChIKey is SWKKHWXJYRLDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-7(6-10)8-2-4-9-5-3-8/h2-6,10H,1H3.
What are the key properties of 2-pyridin-4-ylprop-1-en-1-ol?
2-pyridin-4-ylprop-1-en-1-ol has a molecular weight of 135.17 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-ylprop-1-en-1-ol is sourced from PubChem (CID 136628397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).