2-ethenyl-3-(oxiran-2-yl)pyridine

C9H9NO — CID 87208145

IUPAC2-ethenyl-3-(oxiran-2-yl)pyridine
SMILESC=Cc1ncccc1C1CO1
InChIInChI=1S/C9H9NO/c1-2-8-7(9-6-11-9)4-3-5-10-8/h2-5,9H,1,6H2
InChIKeyMVIZDJXOUABURL-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.80
Rot. Bonds2

About 2-ethenyl-3-(oxiran-2-yl)pyridine

2-ethenyl-3-(oxiran-2-yl)pyridine (PubChem CID 87208145) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-ethenyl-3-(oxiran-2-yl)pyridine.

Molecular Properties

Compound Name2-ethenyl-3-(oxiran-2-yl)pyridine
PubChem CID87208145
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name2-ethenyl-3-(oxiran-2-yl)pyridine
SMILESC=Cc1ncccc1C1CO1
InChIInChI=1S/C9H9NO/c1-2-8-7(9-6-11-9)4-3-5-10-8/h2-5,9H,1,6H2
InChIKeyMVIZDJXOUABURL-UHFFFAOYSA-N
XLogP1.80
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-(oxiran-2-yl)pyridine?
The IUPAC name of 2-ethenyl-3-(oxiran-2-yl)pyridine (CID 87208145) is 2-ethenyl-3-(oxiran-2-yl)pyridine.
What is the SMILES notation for 2-ethenyl-3-(oxiran-2-yl)pyridine?
The canonical SMILES for 2-ethenyl-3-(oxiran-2-yl)pyridine is C=Cc1ncccc1C1CO1.
What is the InChIKey of 2-ethenyl-3-(oxiran-2-yl)pyridine?
The InChIKey is MVIZDJXOUABURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-2-8-7(9-6-11-9)4-3-5-10-8/h2-5,9H,1,6H2.
What are the key properties of 2-ethenyl-3-(oxiran-2-yl)pyridine?
2-ethenyl-3-(oxiran-2-yl)pyridine has a molecular weight of 147.18 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-(oxiran-2-yl)pyridine is sourced from PubChem (CID 87208145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).