3-(3-bromopropyl)-1-methylpyrrolidine

C8H16BrN — CID 18723113

IUPAC3-(3-bromopropyl)-1-methylpyrrolidine
SMILESCN1CCC(CCCBr)C1
InChIInChI=1S/C8H16BrN/c1-10-6-4-8(7-10)3-2-5-9/h8H,2-7H2,1H3
InChIKeyJQYSNUQDFRPSOI-UHFFFAOYSA-N
MW206.13 g/mol
LogP2.11
Rot. Bonds3

About 3-(3-bromopropyl)-1-methylpyrrolidine

3-(3-bromopropyl)-1-methylpyrrolidine (PubChem CID 18723113) has the molecular formula C8H16BrN and a molecular weight of 206.13 g/mol. Its IUPAC name is 3-(3-bromopropyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name3-(3-bromopropyl)-1-methylpyrrolidine
PubChem CID18723113
Molecular FormulaC8H16BrN
Molecular Weight206.13 g/mol
Exact Mass205.05
IUPAC Name3-(3-bromopropyl)-1-methylpyrrolidine
SMILESCN1CCC(CCCBr)C1
InChIInChI=1S/C8H16BrN/c1-10-6-4-8(7-10)3-2-5-9/h8H,2-7H2,1H3
InChIKeyJQYSNUQDFRPSOI-UHFFFAOYSA-N
XLogP2.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.13
LogP ≤ 52.11
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-(3-bromopropyl)-1-methylpyrrolidine?
The IUPAC name of 3-(3-bromopropyl)-1-methylpyrrolidine (CID 18723113) is 3-(3-bromopropyl)-1-methylpyrrolidine.
What is the SMILES notation for 3-(3-bromopropyl)-1-methylpyrrolidine?
The canonical SMILES for 3-(3-bromopropyl)-1-methylpyrrolidine is CN1CCC(CCCBr)C1.
What is the InChIKey of 3-(3-bromopropyl)-1-methylpyrrolidine?
The InChIKey is JQYSNUQDFRPSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrN/c1-10-6-4-8(7-10)3-2-5-9/h8H,2-7H2,1H3.
What are the key properties of 3-(3-bromopropyl)-1-methylpyrrolidine?
3-(3-bromopropyl)-1-methylpyrrolidine has a molecular weight of 206.13 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromopropyl)-1-methylpyrrolidine is sourced from PubChem (CID 18723113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).