1-(2-bromoethyl)-2,3-dimethylpyrrolidine

C8H16BrN — CID 68735642

IUPAC1-(2-bromoethyl)-2,3-dimethylpyrrolidine
SMILESCC1CCN(CCBr)C1C
InChIInChI=1S/C8H16BrN/c1-7-3-5-10(6-4-9)8(7)2/h7-8H,3-6H2,1-2H3
InChIKeyLIDPEPMNOXUORW-UHFFFAOYSA-N
MW206.13 g/mol
LogP2.11
Rot. Bonds2

About 1-(2-bromoethyl)-2,3-dimethylpyrrolidine

1-(2-bromoethyl)-2,3-dimethylpyrrolidine (PubChem CID 68735642) has the molecular formula C8H16BrN and a molecular weight of 206.13 g/mol. Its IUPAC name is 1-(2-bromoethyl)-2,3-dimethylpyrrolidine.

Molecular Properties

Compound Name1-(2-bromoethyl)-2,3-dimethylpyrrolidine
PubChem CID68735642
Molecular FormulaC8H16BrN
Molecular Weight206.13 g/mol
Exact Mass205.05
IUPAC Name1-(2-bromoethyl)-2,3-dimethylpyrrolidine
SMILESCC1CCN(CCBr)C1C
InChIInChI=1S/C8H16BrN/c1-7-3-5-10(6-4-9)8(7)2/h7-8H,3-6H2,1-2H3
InChIKeyLIDPEPMNOXUORW-UHFFFAOYSA-N
XLogP2.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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 1-(2-bromoethyl)-2,3-dimethylpyrrolidine?
The IUPAC name of 1-(2-bromoethyl)-2,3-dimethylpyrrolidine (CID 68735642) is 1-(2-bromoethyl)-2,3-dimethylpyrrolidine.
What is the SMILES notation for 1-(2-bromoethyl)-2,3-dimethylpyrrolidine?
The canonical SMILES for 1-(2-bromoethyl)-2,3-dimethylpyrrolidine is CC1CCN(CCBr)C1C.
What is the InChIKey of 1-(2-bromoethyl)-2,3-dimethylpyrrolidine?
The InChIKey is LIDPEPMNOXUORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrN/c1-7-3-5-10(6-4-9)8(7)2/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(2-bromoethyl)-2,3-dimethylpyrrolidine?
1-(2-bromoethyl)-2,3-dimethylpyrrolidine has a molecular weight of 206.13 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)-2,3-dimethylpyrrolidine is sourced from PubChem (CID 68735642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).