(2S,3R)-3-bromo-2-methyl-1-propan-2-ylpyrrolidine

C8H16BrN — CID 25197989

IUPAC(2S,3R)-3-bromo-2-methyl-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC[C@@H](Br)[C@@H]1C
InChIInChI=1S/C8H16BrN/c1-6(2)10-5-4-8(9)7(10)3/h6-8H,4-5H2,1-3H3/t7-,8+/m0/s1
InChIKeyBAYYOYUEZYOYBJ-JGVFFNPUSA-N
MW206.13 g/mol
LogP2.25
Rot. Bonds1

About (2S,3R)-3-bromo-2-methyl-1-propan-2-ylpyrrolidine

(2S,3R)-3-bromo-2-methyl-1-propan-2-ylpyrrolidine (PubChem CID 25197989) has the molecular formula C8H16BrN and a molecular weight of 206.13 g/mol. Its IUPAC name is (2S,3R)-3-bromo-2-methyl-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(2S,3R)-3-bromo-2-methyl-1-propan-2-ylpyrrolidine
PubChem CID25197989
Molecular FormulaC8H16BrN
Molecular Weight206.13 g/mol
Exact Mass205.05
IUPAC Name(2S,3R)-3-bromo-2-methyl-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC[C@@H](Br)[C@@H]1C
InChIInChI=1S/C8H16BrN/c1-6(2)10-5-4-8(9)7(10)3/h6-8H,4-5H2,1-3H3/t7-,8+/m0/s1
InChIKeyBAYYOYUEZYOYBJ-JGVFFNPUSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.13
LogP ≤ 52.25
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

2-(Bromomethyl)-1-methylpyrrolidine hydrobromide
CID 56773752
2-(2-Bromoethyl)-1-methylpyrrolidine hydrobromide
CID 71756610
(2R)-2-(bromomethyl)-1-methylpyrrolidinehydrobromide
CID 165477637
2-Bromomethyl-1-methyl-pyrrolidine
CID 22616983
2-(2-Bromoethyl)-1-methylpyrrolidine
CID 59730744
1-(3-Bromopropyl)-2,5-dimethylpyrrolidinium bromide
CID 44151969
2-(Bromomethyl)-1-(3-fluoropropyl)pyrrolidine
CID 81113686
(2R,3R)-3-bromo-2,3-dimethyl-1-propan-2-ylpyrrolidine
CID 25198143
2-(Bromomethyl)-4,4-dimethyl-1-propan-2-ylpyrrolidine
CID 101024643
(2R,3S)-3-bromo-2-methyl-1-propan-2-ylpyrrolidine
CID 130883159
4-bromo-N,N-diethylpentan-1-amine
CID 406997
1-(3-Bromopropyl)-2,5-dimethylpyrrolidine
CID 3023732

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-bromo-2-methyl-1-propan-2-ylpyrrolidine?
The IUPAC name of (2S,3R)-3-bromo-2-methyl-1-propan-2-ylpyrrolidine (CID 25197989) is (2S,3R)-3-bromo-2-methyl-1-propan-2-ylpyrrolidine.
What is the SMILES notation for (2S,3R)-3-bromo-2-methyl-1-propan-2-ylpyrrolidine?
The canonical SMILES for (2S,3R)-3-bromo-2-methyl-1-propan-2-ylpyrrolidine is CC(C)N1CC[C@@H](Br)[C@@H]1C.
What is the InChIKey of (2S,3R)-3-bromo-2-methyl-1-propan-2-ylpyrrolidine?
The InChIKey is BAYYOYUEZYOYBJ-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H16BrN/c1-6(2)10-5-4-8(9)7(10)3/h6-8H,4-5H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of (2S,3R)-3-bromo-2-methyl-1-propan-2-ylpyrrolidine?
(2S,3R)-3-bromo-2-methyl-1-propan-2-ylpyrrolidine has a molecular weight of 206.13 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-bromo-2-methyl-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 25197989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).