1-(4-bromobutyl)pyrrolidine

C8H16BrN — CID 22742030

IUPAC1-(4-bromobutyl)pyrrolidine
SMILESBrCCCCN1CCCC1
InChIInChI=1S/C8H16BrN/c9-5-1-2-6-10-7-3-4-8-10/h1-8H2
InChIKeyHWFQUIDUSNKZQS-UHFFFAOYSA-N
MW206.13 g/mol
LogP2.26
Rot. Bonds4

About 1-(4-bromobutyl)pyrrolidine

1-(4-bromobutyl)pyrrolidine (PubChem CID 22742030) has the molecular formula C8H16BrN and a molecular weight of 206.13 g/mol. Its IUPAC name is 1-(4-bromobutyl)pyrrolidine.

Molecular Properties

Compound Name1-(4-bromobutyl)pyrrolidine
PubChem CID22742030
Molecular FormulaC8H16BrN
Molecular Weight206.13 g/mol
Exact Mass205.05
IUPAC Name1-(4-bromobutyl)pyrrolidine
SMILESBrCCCCN1CCCC1
InChIInChI=1S/C8H16BrN/c9-5-1-2-6-10-7-3-4-8-10/h1-8H2
InChIKeyHWFQUIDUSNKZQS-UHFFFAOYSA-N
XLogP2.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.13
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobutyl)pyrrolidine?
The IUPAC name of 1-(4-bromobutyl)pyrrolidine (CID 22742030) is 1-(4-bromobutyl)pyrrolidine.
What is the SMILES notation for 1-(4-bromobutyl)pyrrolidine?
The canonical SMILES for 1-(4-bromobutyl)pyrrolidine is BrCCCCN1CCCC1.
What is the InChIKey of 1-(4-bromobutyl)pyrrolidine?
The InChIKey is HWFQUIDUSNKZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrN/c9-5-1-2-6-10-7-3-4-8-10/h1-8H2.
What are the key properties of 1-(4-bromobutyl)pyrrolidine?
1-(4-bromobutyl)pyrrolidine has a molecular weight of 206.13 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobutyl)pyrrolidine is sourced from PubChem (CID 22742030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).