1-ethenoxypyrrolidine

C6H11NO — CID 20598168

IUPAC1-ethenoxypyrrolidine
SMILESC=CON1CCCC1
InChIInChI=1S/C6H11NO/c1-2-8-7-5-3-4-6-7/h2H,1,3-6H2
InChIKeyARVHRDGQGFVTME-UHFFFAOYSA-N
MW113.16 g/mol
LogP1.16
Rot. Bonds2

About 1-ethenoxypyrrolidine

1-ethenoxypyrrolidine (PubChem CID 20598168) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 1-ethenoxypyrrolidine.

Molecular Properties

Compound Name1-ethenoxypyrrolidine
PubChem CID20598168
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name1-ethenoxypyrrolidine
SMILESC=CON1CCCC1
InChIInChI=1S/C6H11NO/c1-2-8-7-5-3-4-6-7/h2H,1,3-6H2
InChIKeyARVHRDGQGFVTME-UHFFFAOYSA-N
XLogP1.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.16
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 1-ethenoxypyrrolidine?
The IUPAC name of 1-ethenoxypyrrolidine (CID 20598168) is 1-ethenoxypyrrolidine.
What is the SMILES notation for 1-ethenoxypyrrolidine?
The canonical SMILES for 1-ethenoxypyrrolidine is C=CON1CCCC1.
What is the InChIKey of 1-ethenoxypyrrolidine?
The InChIKey is ARVHRDGQGFVTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-8-7-5-3-4-6-7/h2H,1,3-6H2.
What are the key properties of 1-ethenoxypyrrolidine?
1-ethenoxypyrrolidine has a molecular weight of 113.16 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxypyrrolidine is sourced from PubChem (CID 20598168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).