4-ethenoxypyridine

C7H7NO — CID 15102885

IUPAC4-ethenoxypyridine
SMILESC=COc1ccncc1
InChIInChI=1S/C7H7NO/c1-2-9-7-3-5-8-6-4-7/h2-6H,1H2
InChIKeyDSYVTPLSTSHKKM-UHFFFAOYSA-N
MW121.14 g/mol
LogP1.60
Rot. Bonds2

About 4-ethenoxypyridine

4-ethenoxypyridine (PubChem CID 15102885) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is 4-ethenoxypyridine.

Molecular Properties

Compound Name4-ethenoxypyridine
PubChem CID15102885
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Name4-ethenoxypyridine
SMILESC=COc1ccncc1
InChIInChI=1S/C7H7NO/c1-2-9-7-3-5-8-6-4-7/h2-6H,1H2
InChIKeyDSYVTPLSTSHKKM-UHFFFAOYSA-N
XLogP1.60
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.60
H-Bond Donors ≤ 50
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 4-ethenoxypyridine?
The IUPAC name of 4-ethenoxypyridine (CID 15102885) is 4-ethenoxypyridine.
What is the SMILES notation for 4-ethenoxypyridine?
The canonical SMILES for 4-ethenoxypyridine is C=COc1ccncc1.
What is the InChIKey of 4-ethenoxypyridine?
The InChIKey is DSYVTPLSTSHKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO/c1-2-9-7-3-5-8-6-4-7/h2-6H,1H2.
What are the key properties of 4-ethenoxypyridine?
4-ethenoxypyridine has a molecular weight of 121.14 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxypyridine is sourced from PubChem (CID 15102885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).