2-[(E)-but-1-enyl]pyrrolidine

C8H15N — CID 55299341

IUPAC2-[(E)-but-1-enyl]pyrrolidine
SMILESCC/C=C/C1CCCN1
InChIInChI=1S/C8H15N/c1-2-3-5-8-6-4-7-9-8/h3,5,8-9H,2,4,6-7H2,1H3/b5-3+
InChIKeyLICBEBNJBCDRCR-HWKANZROSA-N
MW125.21 g/mol
LogP1.70
Rot. Bonds2

About 2-[(E)-but-1-enyl]pyrrolidine

2-[(E)-but-1-enyl]pyrrolidine (PubChem CID 55299341) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 2-[(E)-but-1-enyl]pyrrolidine.

Molecular Properties

Compound Name2-[(E)-but-1-enyl]pyrrolidine
PubChem CID55299341
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name2-[(E)-but-1-enyl]pyrrolidine
SMILESCC/C=C/C1CCCN1
InChIInChI=1S/C8H15N/c1-2-3-5-8-6-4-7-9-8/h3,5,8-9H,2,4,6-7H2,1H3/b5-3+
InChIKeyLICBEBNJBCDRCR-HWKANZROSA-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-[(E)-but-1-enyl]pyrrolidine?
The IUPAC name of 2-[(E)-but-1-enyl]pyrrolidine (CID 55299341) is 2-[(E)-but-1-enyl]pyrrolidine.
What is the SMILES notation for 2-[(E)-but-1-enyl]pyrrolidine?
The canonical SMILES for 2-[(E)-but-1-enyl]pyrrolidine is CC/C=C/C1CCCN1.
What is the InChIKey of 2-[(E)-but-1-enyl]pyrrolidine?
The InChIKey is LICBEBNJBCDRCR-HWKANZROSA-N. The full InChI is InChI=1S/C8H15N/c1-2-3-5-8-6-4-7-9-8/h3,5,8-9H,2,4,6-7H2,1H3/b5-3+.
What are the key properties of 2-[(E)-but-1-enyl]pyrrolidine?
2-[(E)-but-1-enyl]pyrrolidine 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-[(E)-but-1-enyl]pyrrolidine is sourced from PubChem (CID 55299341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).