1-(2-bromoethyl)-2-methylpyrrolidine

C7H14BrN — CID 61288936

IUPAC1-(2-bromoethyl)-2-methylpyrrolidine
SMILESCC1CCCN1CCBr
InChIInChI=1S/C7H14BrN/c1-7-3-2-5-9(7)6-4-8/h7H,2-6H2,1H3
InChIKeyUTEBFAMIFILCTE-UHFFFAOYSA-N
MW192.10 g/mol
LogP1.87
Rot. Bonds2

About 1-(2-bromoethyl)-2-methylpyrrolidine

1-(2-bromoethyl)-2-methylpyrrolidine (PubChem CID 61288936) has the molecular formula C7H14BrN and a molecular weight of 192.10 g/mol. Its IUPAC name is 1-(2-bromoethyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name1-(2-bromoethyl)-2-methylpyrrolidine
PubChem CID61288936
Molecular FormulaC7H14BrN
Molecular Weight192.10 g/mol
Exact Mass191.03
IUPAC Name1-(2-bromoethyl)-2-methylpyrrolidine
SMILESCC1CCCN1CCBr
InChIInChI=1S/C7H14BrN/c1-7-3-2-5-9(7)6-4-8/h7H,2-6H2,1H3
InChIKeyUTEBFAMIFILCTE-UHFFFAOYSA-N
XLogP1.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.10
LogP ≤ 51.87
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 1-(2-bromoethyl)-2-methylpyrrolidine?
The IUPAC name of 1-(2-bromoethyl)-2-methylpyrrolidine (CID 61288936) is 1-(2-bromoethyl)-2-methylpyrrolidine.
What is the SMILES notation for 1-(2-bromoethyl)-2-methylpyrrolidine?
The canonical SMILES for 1-(2-bromoethyl)-2-methylpyrrolidine is CC1CCCN1CCBr.
What is the InChIKey of 1-(2-bromoethyl)-2-methylpyrrolidine?
The InChIKey is UTEBFAMIFILCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrN/c1-7-3-2-5-9(7)6-4-8/h7H,2-6H2,1H3.
What are the key properties of 1-(2-bromoethyl)-2-methylpyrrolidine?
1-(2-bromoethyl)-2-methylpyrrolidine has a molecular weight of 192.10 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-2-methylpyrrolidine is sourced from PubChem (CID 61288936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).