2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]pyrrolidine

C10H12BrNS — CID 104703779

IUPAC2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]pyrrolidine
SMILESBrc1ccc(/C=C/C2CCCN2)s1
InChIInChI=1S/C10H12BrNS/c11-10-6-5-9(13-10)4-3-8-2-1-7-12-8/h3-6,8,12H,1-2,7H2/b4-3+
InChIKeyMUCJHHFLDJGRNC-ONEGZZNKSA-N
MW258.18 g/mol
LogP3.28
Rot. Bonds2

About 2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]pyrrolidine

2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]pyrrolidine (PubChem CID 104703779) has the molecular formula C10H12BrNS and a molecular weight of 258.18 g/mol. Its IUPAC name is 2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]pyrrolidine.

Molecular Properties

Compound Name2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]pyrrolidine
PubChem CID104703779
Molecular FormulaC10H12BrNS
Molecular Weight258.18 g/mol
Exact Mass256.99
IUPAC Name2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]pyrrolidine
SMILESBrc1ccc(/C=C/C2CCCN2)s1
InChIInChI=1S/C10H12BrNS/c11-10-6-5-9(13-10)4-3-8-2-1-7-12-8/h3-6,8,12H,1-2,7H2/b4-3+
InChIKeyMUCJHHFLDJGRNC-ONEGZZNKSA-N
XLogP3.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.18
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-2-(5-ethylthiophen-2-yl)ethenyl]pyrrolidine
CID 104703801
2-(2-phenylethenyl)pyrrolidine
CID 3705120
3-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-5-methylmorpholine
CID 116685838
2-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidine
CID 104703767
2-(5-bromothiophen-2-yl)-1-pyrrolidin-2-ylethanol
CID 106639985
5-(2-pyrrolidin-2-ylethenyl)-1,2-oxazole
CID 57358428
(2R)-2-[(Z)-2-phenylethenyl]azepane
CID 97289892
2-[(E)-2-(3,5-difluorophenyl)ethenyl]pyrrolidine;hydrochloride
CID 126844673
2-[(E)-2-(4-fluorophenyl)ethenyl]piperidine;hydrochloride
CID 126844801
2-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidine
CID 45097432
1-[(5-bromothiophen-2-yl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 63255802
(2R)-2-(5-bromothiophen-2-yl)piperidine
CID 7048175

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]pyrrolidine?
The IUPAC name of 2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]pyrrolidine (CID 104703779) is 2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]pyrrolidine.
What is the SMILES notation for 2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]pyrrolidine?
The canonical SMILES for 2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]pyrrolidine is Brc1ccc(/C=C/C2CCCN2)s1.
What is the InChIKey of 2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]pyrrolidine?
The InChIKey is MUCJHHFLDJGRNC-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H12BrNS/c11-10-6-5-9(13-10)4-3-8-2-1-7-12-8/h3-6,8,12H,1-2,7H2/b4-3+.
What are the key properties of 2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]pyrrolidine?
2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]pyrrolidine has a molecular weight of 258.18 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]pyrrolidine is sourced from PubChem (CID 104703779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).