4-bromo-2-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine

C11H16BrNS — CID 130948914

IUPAC4-bromo-2-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine
SMILESCC1CC(Br)CN1CCc1cccs1
InChIInChI=1S/C11H16BrNS/c1-9-7-10(12)8-13(9)5-4-11-3-2-6-14-11/h2-3,6,9-10H,4-5,7-8H2,1H3
InChIKeyJHCOMGOTEAYPPM-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.15
Rot. Bonds3

About 4-bromo-2-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine

4-bromo-2-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine (PubChem CID 130948914) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is 4-bromo-2-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine.

Molecular Properties

Compound Name4-bromo-2-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine
PubChem CID130948914
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC Name4-bromo-2-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine
SMILESCC1CC(Br)CN1CCc1cccs1
InChIInChI=1S/C11H16BrNS/c1-9-7-10(12)8-13(9)5-4-11-3-2-6-14-11/h2-3,6,9-10H,4-5,7-8H2,1H3
InChIKeyJHCOMGOTEAYPPM-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-methyl-1-(2-thiophen-2-ylethyl)piperidine
CID 130825934
2-tert-butyl-5-methyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64844009
4-bromo-3-methyl-1-(2-thiophen-2-ylethyl)piperidine
CID 114682366
4-methyl-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione
CID 13455297
1,5-dimethyl-N-(2-thiophen-2-ylethyl)pyrrolidin-3-amine
CID 81300569
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
CID 95761889
2,2,5-trimethyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64845507
1-[(2R)-2-[(2R)-1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95758507
1-[3-methyl-4-(2-phenylethyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110658208
2-butan-2-yl-5-(2-methylpropyl)-1-(2-thiophen-2-ylethyl)piperazine
CID 64849704
1-(2-methylcyclopropyl)-3-thiophen-2-ylpropan-1-amine
CID 65422765
2-cyclopropyl-5-ethyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64843303

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine?
The IUPAC name of 4-bromo-2-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine (CID 130948914) is 4-bromo-2-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine.
What is the SMILES notation for 4-bromo-2-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine?
The canonical SMILES for 4-bromo-2-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine is CC1CC(Br)CN1CCc1cccs1.
What is the InChIKey of 4-bromo-2-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine?
The InChIKey is JHCOMGOTEAYPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS/c1-9-7-10(12)8-13(9)5-4-11-3-2-6-14-11/h2-3,6,9-10H,4-5,7-8H2,1H3.
What are the key properties of 4-bromo-2-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine?
4-bromo-2-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine has a molecular weight of 274.23 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine is sourced from PubChem (CID 130948914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).