1-ethenyl-3-ethylpyrrolidine

C8H15N — CID 123531474

IUPAC1-ethenyl-3-ethylpyrrolidine
SMILESC=CN1CCC(CC)C1
InChIInChI=1S/C8H15N/c1-3-8-5-6-9(4-2)7-8/h4,8H,2-3,5-7H2,1H3
InChIKeyDYNIFJGMYNVENJ-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.86
Rot. Bonds2

About 1-ethenyl-3-ethylpyrrolidine

1-ethenyl-3-ethylpyrrolidine (PubChem CID 123531474) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 1-ethenyl-3-ethylpyrrolidine.

Molecular Properties

Compound Name1-ethenyl-3-ethylpyrrolidine
PubChem CID123531474
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name1-ethenyl-3-ethylpyrrolidine
SMILESC=CN1CCC(CC)C1
InChIInChI=1S/C8H15N/c1-3-8-5-6-9(4-2)7-8/h4,8H,2-3,5-7H2,1H3
InChIKeyDYNIFJGMYNVENJ-UHFFFAOYSA-N
XLogP1.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-ethylpyrrolidine?
The IUPAC name of 1-ethenyl-3-ethylpyrrolidine (CID 123531474) is 1-ethenyl-3-ethylpyrrolidine.
What is the SMILES notation for 1-ethenyl-3-ethylpyrrolidine?
The canonical SMILES for 1-ethenyl-3-ethylpyrrolidine is C=CN1CCC(CC)C1.
What is the InChIKey of 1-ethenyl-3-ethylpyrrolidine?
The InChIKey is DYNIFJGMYNVENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-3-8-5-6-9(4-2)7-8/h4,8H,2-3,5-7H2,1H3.
What are the key properties of 1-ethenyl-3-ethylpyrrolidine?
1-ethenyl-3-ethylpyrrolidine has a molecular weight of 125.21 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-ethylpyrrolidine is sourced from PubChem (CID 123531474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).