1-ethyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine

C11H21N — CID 89461259

IUPAC1-ethyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine
SMILESCCN1CCCC1/C=C/C(C)C
InChIInChI=1S/C11H21N/c1-4-12-9-5-6-11(12)8-7-10(2)3/h7-8,10-11H,4-6,9H2,1-3H3/b8-7+
InChIKeyASSNJQIZBKNOJB-BQYQJAHWSA-N
MW167.30 g/mol
LogP2.68
Rot. Bonds3

About 1-ethyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine

1-ethyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine (PubChem CID 89461259) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-ethyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine.

Molecular Properties

Compound Name1-ethyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine
PubChem CID89461259
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-ethyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine
SMILESCCN1CCCC1/C=C/C(C)C
InChIInChI=1S/C11H21N/c1-4-12-9-5-6-11(12)8-7-10(2)3/h7-8,10-11H,4-6,9H2,1-3H3/b8-7+
InChIKeyASSNJQIZBKNOJB-BQYQJAHWSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
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 1-ethyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine?
The IUPAC name of 1-ethyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine (CID 89461259) is 1-ethyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine.
What is the SMILES notation for 1-ethyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine?
The canonical SMILES for 1-ethyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine is CCN1CCCC1/C=C/C(C)C.
What is the InChIKey of 1-ethyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine?
The InChIKey is ASSNJQIZBKNOJB-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H21N/c1-4-12-9-5-6-11(12)8-7-10(2)3/h7-8,10-11H,4-6,9H2,1-3H3/b8-7+.
What are the key properties of 1-ethyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine?
1-ethyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine has a molecular weight of 167.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(E)-3-methylbut-1-enyl]pyrrolidine is sourced from PubChem (CID 89461259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).