(2R)-1-(3-bromopropyl)-2-methylpyrrolidine

C8H16BrN — CID 66784434

IUPAC(2R)-1-(3-bromopropyl)-2-methylpyrrolidine
SMILESC[C@@H]1CCCN1CCCBr
InChIInChI=1S/C8H16BrN/c1-8-4-2-6-10(8)7-3-5-9/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyZYZWPBAQKLPORF-MRVPVSSYSA-N
MW206.13 g/mol
LogP2.26
Rot. Bonds3

About (2R)-1-(3-bromopropyl)-2-methylpyrrolidine

(2R)-1-(3-bromopropyl)-2-methylpyrrolidine (PubChem CID 66784434) has the molecular formula C8H16BrN and a molecular weight of 206.13 g/mol. Its IUPAC name is (2R)-1-(3-bromopropyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name(2R)-1-(3-bromopropyl)-2-methylpyrrolidine
PubChem CID66784434
Molecular FormulaC8H16BrN
Molecular Weight206.13 g/mol
Exact Mass205.05
IUPAC Name(2R)-1-(3-bromopropyl)-2-methylpyrrolidine
SMILESC[C@@H]1CCCN1CCCBr
InChIInChI=1S/C8H16BrN/c1-8-4-2-6-10(8)7-3-5-9/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyZYZWPBAQKLPORF-MRVPVSSYSA-N
XLogP2.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.13
LogP ≤ 52.26
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
1-(4-Bromobutyl)pyrrolidine
CID 22742030
1-Butyl-2-methylpyrrolidine
CID 10909668
2-(2-Bromoethyl)-1-methylpyrrolidine hydrobromide
CID 71756610
(2R)-2-(bromomethyl)-1-methylpyrrolidinehydrobromide
CID 165477637
N-(1-pentyl)-2-methylpyrrolidine
CID 54438045
N-(2-pentyl)-2-methylpyrrolidine
CID 126990106
2-Bromomethyl-1-methyl-pyrrolidine
CID 22616983
2-(2-Bromoethyl)-1-methylpyrrolidine
CID 59730744
2-Methyl-1-propyl-pyrrolidine
CID 12461837
2-Methyl-1-propan-2-ylpyrrolidine
CID 12461838
3-(Bromomethyl)-1-(propan-2-yl)pyrrolidine
CID 56737786

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-bromopropyl)-2-methylpyrrolidine?
The IUPAC name of (2R)-1-(3-bromopropyl)-2-methylpyrrolidine (CID 66784434) is (2R)-1-(3-bromopropyl)-2-methylpyrrolidine.
What is the SMILES notation for (2R)-1-(3-bromopropyl)-2-methylpyrrolidine?
The canonical SMILES for (2R)-1-(3-bromopropyl)-2-methylpyrrolidine is C[C@@H]1CCCN1CCCBr.
What is the InChIKey of (2R)-1-(3-bromopropyl)-2-methylpyrrolidine?
The InChIKey is ZYZWPBAQKLPORF-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16BrN/c1-8-4-2-6-10(8)7-3-5-9/h8H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-1-(3-bromopropyl)-2-methylpyrrolidine?
(2R)-1-(3-bromopropyl)-2-methylpyrrolidine has a molecular weight of 206.13 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-bromopropyl)-2-methylpyrrolidine is sourced from PubChem (CID 66784434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).