2-ethenyl-2-ethylpyrrolidine

C8H15N — CID 66466453

IUPAC2-ethenyl-2-ethylpyrrolidine
SMILESC=CC1(CC)CCCN1
InChIInChI=1S/C8H15N/c1-3-8(4-2)6-5-7-9-8/h3,9H,1,4-7H2,2H3
InChIKeyUIDAWGRXRIFRGQ-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.70
Rot. Bonds2

About 2-ethenyl-2-ethylpyrrolidine

2-ethenyl-2-ethylpyrrolidine (PubChem CID 66466453) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 2-ethenyl-2-ethylpyrrolidine.

Molecular Properties

Compound Name2-ethenyl-2-ethylpyrrolidine
PubChem CID66466453
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name2-ethenyl-2-ethylpyrrolidine
SMILESC=CC1(CC)CCCN1
InChIInChI=1S/C8H15N/c1-3-8(4-2)6-5-7-9-8/h3,9H,1,4-7H2,2H3
InChIKeyUIDAWGRXRIFRGQ-UHFFFAOYSA-N
XLogP1.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.70
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 2-ethenyl-2-ethylpyrrolidine?
The IUPAC name of 2-ethenyl-2-ethylpyrrolidine (CID 66466453) is 2-ethenyl-2-ethylpyrrolidine.
What is the SMILES notation for 2-ethenyl-2-ethylpyrrolidine?
The canonical SMILES for 2-ethenyl-2-ethylpyrrolidine is C=CC1(CC)CCCN1.
What is the InChIKey of 2-ethenyl-2-ethylpyrrolidine?
The InChIKey is UIDAWGRXRIFRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-3-8(4-2)6-5-7-9-8/h3,9H,1,4-7H2,2H3.
What are the key properties of 2-ethenyl-2-ethylpyrrolidine?
2-ethenyl-2-ethylpyrrolidine has a molecular weight of 125.21 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-ethylpyrrolidine is sourced from PubChem (CID 66466453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).