3-ethenylpyrrolidine

C6H11N — CID 14815780

IUPAC3-ethenylpyrrolidine
SMILESC=CC1CCNC1
InChIInChI=1S/C6H11N/c1-2-6-3-4-7-5-6/h2,6-7H,1,3-5H2
InChIKeyUIRSDPGHIARUJZ-UHFFFAOYSA-N
MW97.16 g/mol
LogP0.78
Rot. Bonds1

About 3-ethenylpyrrolidine

3-ethenylpyrrolidine (PubChem CID 14815780) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 3-ethenylpyrrolidine.

Molecular Properties

Compound Name3-ethenylpyrrolidine
PubChem CID14815780
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name3-ethenylpyrrolidine
SMILESC=CC1CCNC1
InChIInChI=1S/C6H11N/c1-2-6-3-4-7-5-6/h2,6-7H,1,3-5H2
InChIKeyUIRSDPGHIARUJZ-UHFFFAOYSA-N
XLogP0.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-ethenylpyrrolidine?
The IUPAC name of 3-ethenylpyrrolidine (CID 14815780) is 3-ethenylpyrrolidine.
What is the SMILES notation for 3-ethenylpyrrolidine?
The canonical SMILES for 3-ethenylpyrrolidine is C=CC1CCNC1.
What is the InChIKey of 3-ethenylpyrrolidine?
The InChIKey is UIRSDPGHIARUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-2-6-3-4-7-5-6/h2,6-7H,1,3-5H2.
What are the key properties of 3-ethenylpyrrolidine?
3-ethenylpyrrolidine has a molecular weight of 97.16 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylpyrrolidine is sourced from PubChem (CID 14815780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).