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

C8H15N — CID 5357122

IUPAC1-[(E)-but-1-enyl]pyrrolidine
SMILESCC/C=C/N1CCCC1
InChIInChI=1S/C8H15N/c1-2-3-6-9-7-4-5-8-9/h3,6H,2,4-5,7-8H2,1H3/b6-3+
InChIKeyGQCQSPFOXSSUEG-ZZXKWVIFSA-N
MW125.21 g/mol
LogP2.01
Rot. Bonds2

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

1-[(E)-but-1-enyl]pyrrolidine (PubChem CID 5357122) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 1-[(E)-but-1-enyl]pyrrolidine.

Molecular Properties

Compound Name1-[(E)-but-1-enyl]pyrrolidine
PubChem CID5357122
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name1-[(E)-but-1-enyl]pyrrolidine
SMILESCC/C=C/N1CCCC1
InChIInChI=1S/C8H15N/c1-2-3-6-9-7-4-5-8-9/h3,6H,2,4-5,7-8H2,1H3/b6-3+
InChIKeyGQCQSPFOXSSUEG-ZZXKWVIFSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(E)-but-1-enyl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-1-enyl]pyrrolidine?
The IUPAC name of 1-[(E)-but-1-enyl]pyrrolidine (CID 5357122) is 1-[(E)-but-1-enyl]pyrrolidine.
What is the SMILES notation for 1-[(E)-but-1-enyl]pyrrolidine?
The canonical SMILES for 1-[(E)-but-1-enyl]pyrrolidine is CC/C=C/N1CCCC1.
What is the InChIKey of 1-[(E)-but-1-enyl]pyrrolidine?
The InChIKey is GQCQSPFOXSSUEG-ZZXKWVIFSA-N. The full InChI is InChI=1S/C8H15N/c1-2-3-6-9-7-4-5-8-9/h3,6H,2,4-5,7-8H2,1H3/b6-3+.
What are the key properties of 1-[(E)-but-1-enyl]pyrrolidine?
1-[(E)-but-1-enyl]pyrrolidine has a molecular weight of 125.21 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-enyl]pyrrolidine is sourced from PubChem (CID 5357122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).