3-bromo-1-(2-cyclobutylpropyl)pyrrolidine

C11H20BrN — CID 130804419

IUPAC3-bromo-1-(2-cyclobutylpropyl)pyrrolidine
SMILESCC(CN1CCC(Br)C1)C1CCC1
InChIInChI=1S/C11H20BrN/c1-9(10-3-2-4-10)7-13-6-5-11(12)8-13/h9-11H,2-8H2,1H3
InChIKeyGCMXATYFNQZFHP-UHFFFAOYSA-N
MW246.19 g/mol
LogP2.89
Rot. Bonds3

About 3-bromo-1-(2-cyclobutylpropyl)pyrrolidine

3-bromo-1-(2-cyclobutylpropyl)pyrrolidine (PubChem CID 130804419) has the molecular formula C11H20BrN and a molecular weight of 246.19 g/mol. Its IUPAC name is 3-bromo-1-(2-cyclobutylpropyl)pyrrolidine.

Molecular Properties

Compound Name3-bromo-1-(2-cyclobutylpropyl)pyrrolidine
PubChem CID130804419
Molecular FormulaC11H20BrN
Molecular Weight246.19 g/mol
Exact Mass245.08
IUPAC Name3-bromo-1-(2-cyclobutylpropyl)pyrrolidine
SMILESCC(CN1CCC(Br)C1)C1CCC1
InChIInChI=1S/C11H20BrN/c1-9(10-3-2-4-10)7-13-6-5-11(12)8-13/h9-11H,2-8H2,1H3
InChIKeyGCMXATYFNQZFHP-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2-cyclobutylpropyl)pyrrolidine?
The IUPAC name of 3-bromo-1-(2-cyclobutylpropyl)pyrrolidine (CID 130804419) is 3-bromo-1-(2-cyclobutylpropyl)pyrrolidine.
What is the SMILES notation for 3-bromo-1-(2-cyclobutylpropyl)pyrrolidine?
The canonical SMILES for 3-bromo-1-(2-cyclobutylpropyl)pyrrolidine is CC(CN1CCC(Br)C1)C1CCC1.
What is the InChIKey of 3-bromo-1-(2-cyclobutylpropyl)pyrrolidine?
The InChIKey is GCMXATYFNQZFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN/c1-9(10-3-2-4-10)7-13-6-5-11(12)8-13/h9-11H,2-8H2,1H3.
What are the key properties of 3-bromo-1-(2-cyclobutylpropyl)pyrrolidine?
3-bromo-1-(2-cyclobutylpropyl)pyrrolidine has a molecular weight of 246.19 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2-cyclobutylpropyl)pyrrolidine is sourced from PubChem (CID 130804419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).