3-(2-bromoethyl)-1-(cyclobutylmethyl)pyrrolidine

C11H20BrN — CID 114800298

IUPAC3-(2-bromoethyl)-1-(cyclobutylmethyl)pyrrolidine
SMILESBrCCC1CCN(CC2CCC2)C1
InChIInChI=1S/C11H20BrN/c12-6-4-11-5-7-13(9-11)8-10-2-1-3-10/h10-11H,1-9H2
InChIKeyWBALWWCSSLJADT-UHFFFAOYSA-N
MW246.19 g/mol
LogP2.89
Rot. Bonds4

About 3-(2-bromoethyl)-1-(cyclobutylmethyl)pyrrolidine

3-(2-bromoethyl)-1-(cyclobutylmethyl)pyrrolidine (PubChem CID 114800298) has the molecular formula C11H20BrN and a molecular weight of 246.19 g/mol. Its IUPAC name is 3-(2-bromoethyl)-1-(cyclobutylmethyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-bromoethyl)-1-(cyclobutylmethyl)pyrrolidine
PubChem CID114800298
Molecular FormulaC11H20BrN
Molecular Weight246.19 g/mol
Exact Mass245.08
IUPAC Name3-(2-bromoethyl)-1-(cyclobutylmethyl)pyrrolidine
SMILESBrCCC1CCN(CC2CCC2)C1
InChIInChI=1S/C11H20BrN/c12-6-4-11-5-7-13(9-11)8-10-2-1-3-10/h10-11H,1-9H2
InChIKeyWBALWWCSSLJADT-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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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Related Compounds

1-(cyclobutylmethyl)-3-propylpyrrolidine;ethane
CID 169242088
1-[1-(cyclobutylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511607
[1-(cyclohexylmethyl)pyrrolidin-3-yl]methanol
CID 44558451
3-(2-bromoethyl)-1-(3-methylbutyl)pyrrolidine
CID 114800350
4-[2-[3-(2-bromoethyl)pyrrolidin-1-yl]ethyl]morpholine
CID 114800432
3-(2-bromoethyl)-1-(3,3,3-trifluoropropyl)pyrrolidine
CID 114800427
2-[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]ethanol
CID 115741583
3-(2-bromoethyl)-1-(2-methylpentyl)piperidine
CID 80690205
1-(cyclobutylmethyl)-3-ethylpiperidine
CID 143174975
1-(cyclohexylmethyl)-3-(2,2-dimethylpropyl)pyrrolidine
CID 70936687
3-(2-bromoethyl)-1-(2-methylsulfonylethyl)pyrrolidine
CID 114800434
3-(2-bromoethyl)-1-pentylpiperidine
CID 80690908

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoethyl)-1-(cyclobutylmethyl)pyrrolidine?
The IUPAC name of 3-(2-bromoethyl)-1-(cyclobutylmethyl)pyrrolidine (CID 114800298) is 3-(2-bromoethyl)-1-(cyclobutylmethyl)pyrrolidine.
What is the SMILES notation for 3-(2-bromoethyl)-1-(cyclobutylmethyl)pyrrolidine?
The canonical SMILES for 3-(2-bromoethyl)-1-(cyclobutylmethyl)pyrrolidine is BrCCC1CCN(CC2CCC2)C1.
What is the InChIKey of 3-(2-bromoethyl)-1-(cyclobutylmethyl)pyrrolidine?
The InChIKey is WBALWWCSSLJADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN/c12-6-4-11-5-7-13(9-11)8-10-2-1-3-10/h10-11H,1-9H2.
What are the key properties of 3-(2-bromoethyl)-1-(cyclobutylmethyl)pyrrolidine?
3-(2-bromoethyl)-1-(cyclobutylmethyl)pyrrolidine has a molecular weight of 246.19 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoethyl)-1-(cyclobutylmethyl)pyrrolidine is sourced from PubChem (CID 114800298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).