3-butylidenepyrrolidine

C8H15N — CID 79875732

IUPAC3-butylidenepyrrolidine
SMILESCCCC=C1CCNC1
InChIInChI=1S/C8H15N/c1-2-3-4-8-5-6-9-7-8/h4,9H,2-3,5-7H2,1H3
InChIKeyNJKAWYWAGZAYED-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.71
Rot. Bonds2

About 3-butylidenepyrrolidine

3-butylidenepyrrolidine (PubChem CID 79875732) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 3-butylidenepyrrolidine.

Molecular Properties

Compound Name3-butylidenepyrrolidine
PubChem CID79875732
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name3-butylidenepyrrolidine
SMILESCCCC=C1CCNC1
InChIInChI=1S/C8H15N/c1-2-3-4-8-5-6-9-7-8/h4,9H,2-3,5-7H2,1H3
InChIKeyNJKAWYWAGZAYED-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-butylidenepyrrolidine 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 3-butylidenepyrrolidine?
The IUPAC name of 3-butylidenepyrrolidine (CID 79875732) is 3-butylidenepyrrolidine.
What is the SMILES notation for 3-butylidenepyrrolidine?
The canonical SMILES for 3-butylidenepyrrolidine is CCCC=C1CCNC1.
What is the InChIKey of 3-butylidenepyrrolidine?
The InChIKey is NJKAWYWAGZAYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-2-3-4-8-5-6-9-7-8/h4,9H,2-3,5-7H2,1H3.
What are the key properties of 3-butylidenepyrrolidine?
3-butylidenepyrrolidine has a molecular weight of 125.21 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylidenepyrrolidine is sourced from PubChem (CID 79875732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).