2-bromo-2-(bromomethyl)-1-methylpyrrolidine

C6H11Br2N — CID 156695392

IUPAC2-bromo-2-(bromomethyl)-1-methylpyrrolidine
SMILESCN1CCCC1(Br)CBr
InChIInChI=1S/C6H11Br2N/c1-9-4-2-3-6(9,8)5-7/h2-5H2,1H3
InChIKeyWTOLXKUUVFACKJ-UHFFFAOYSA-N
MW256.97 g/mol
LogP2.20
Rot. Bonds1

About 2-bromo-2-(bromomethyl)-1-methylpyrrolidine

2-bromo-2-(bromomethyl)-1-methylpyrrolidine (PubChem CID 156695392) has the molecular formula C6H11Br2N and a molecular weight of 256.97 g/mol. Its IUPAC name is 2-bromo-2-(bromomethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name2-bromo-2-(bromomethyl)-1-methylpyrrolidine
PubChem CID156695392
Molecular FormulaC6H11Br2N
Molecular Weight256.97 g/mol
Exact Mass254.93
IUPAC Name2-bromo-2-(bromomethyl)-1-methylpyrrolidine
SMILESCN1CCCC1(Br)CBr
InChIInChI=1S/C6H11Br2N/c1-9-4-2-3-6(9,8)5-7/h2-5H2,1H3
InChIKeyWTOLXKUUVFACKJ-UHFFFAOYSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.97
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1,8-dimethyl-1,8-diazaspiro[3.4]octane
CID 59187033
(2R)-1,2-dimethyl-2-propan-2-ylpyrrolidine
CID 170383943
ethane;(2-ethyl-1-methylpyrrolidin-2-yl)methanol
CID 170726282
[(2R)-1,2-dimethylpyrrolidin-2-yl]methanol
CID 141207857
3-tert-butyl-5-methyl-5-azaspiro[3.4]octane
CID 171594521
ethane;1-methyl-1,7-diazaspiro[4.4]nonan-6-one
CID 144964545
2,5-dimethyl-2,5-diazaspiro[3.4]octane
CID 59187037
acetylene;[(2R)-1,2-dimethylpyrrolidin-2-yl]methanol
CID 168910228
1-methylpyrrolidine-2,2-dicarboxylic acid
CID 83669888
2-(difluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine;ethane
CID 168881561
2-butan-2-yl-1,2-dimethylpyrrolidine
CID 89025090
2-(1,2-dimethylpyrrolidin-2-yl)acetonitrile
CID 130291955

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(bromomethyl)-1-methylpyrrolidine?
The IUPAC name of 2-bromo-2-(bromomethyl)-1-methylpyrrolidine (CID 156695392) is 2-bromo-2-(bromomethyl)-1-methylpyrrolidine.
What is the SMILES notation for 2-bromo-2-(bromomethyl)-1-methylpyrrolidine?
The canonical SMILES for 2-bromo-2-(bromomethyl)-1-methylpyrrolidine is CN1CCCC1(Br)CBr.
What is the InChIKey of 2-bromo-2-(bromomethyl)-1-methylpyrrolidine?
The InChIKey is WTOLXKUUVFACKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Br2N/c1-9-4-2-3-6(9,8)5-7/h2-5H2,1H3.
What are the key properties of 2-bromo-2-(bromomethyl)-1-methylpyrrolidine?
2-bromo-2-(bromomethyl)-1-methylpyrrolidine has a molecular weight of 256.97 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(bromomethyl)-1-methylpyrrolidine is sourced from PubChem (CID 156695392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).