(2R)-2-(4,5-dibromothiophen-2-yl)pyrrolidine

C8H9Br2NS — CID 131001434

IUPAC(2R)-2-(4,5-dibromothiophen-2-yl)pyrrolidine
SMILESBrc1cc([C@H]2CCCN2)sc1Br
InChIInChI=1S/C8H9Br2NS/c9-5-4-7(12-8(5)10)6-2-1-3-11-6/h4,6,11H,1-3H2/t6-/m1/s1
InChIKeySZJUGWVNSNTABO-ZCFIWIBFSA-N
MW311.04 g/mol
LogP3.70
Rot. Bonds1

About (2R)-2-(4,5-dibromothiophen-2-yl)pyrrolidine

(2R)-2-(4,5-dibromothiophen-2-yl)pyrrolidine (PubChem CID 131001434) has the molecular formula C8H9Br2NS and a molecular weight of 311.04 g/mol. Its IUPAC name is (2R)-2-(4,5-dibromothiophen-2-yl)pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(4,5-dibromothiophen-2-yl)pyrrolidine
PubChem CID131001434
Molecular FormulaC8H9Br2NS
Molecular Weight311.04 g/mol
Exact Mass308.88
IUPAC Name(2R)-2-(4,5-dibromothiophen-2-yl)pyrrolidine
SMILESBrc1cc([C@H]2CCCN2)sc1Br
InChIInChI=1S/C8H9Br2NS/c9-5-4-7(12-8(5)10)6-2-1-3-11-6/h4,6,11H,1-3H2/t6-/m1/s1
InChIKeySZJUGWVNSNTABO-ZCFIWIBFSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.04
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4,5-dibromothiophen-2-yl)piperidine
CID 130690046
(2R)-2-(5-bromothiophen-2-yl)piperidine
CID 7048175
5-pyrrolidin-2-ylthiophen-2-amine
CID 130002425
(2R)-2-(5-bromo-4-methylthiophen-2-yl)azetidine;hydrochloride
CID 171197221
(4,5-dibromothiophen-2-yl)-pyrrolidin-2-ylmethanol
CID 80535555
2-(2,5-dibromothiophen-3-yl)azepane
CID 107959791
N,N-dimethyl-5-[(2S)-pyrrolidin-2-yl]thiophen-2-amine
CID 55276512
(2R)-2-(2,5-dibromophenyl)pyrrolidine
CID 131190573
(2R)-2-(5-methylthiophen-2-yl)piperidine
CID 7048171
5-bromo-4-pyrrolidin-2-ylthiadiazole
CID 84697347
(2S)-2-(2,4-dibromophenyl)pyrrolidine
CID 130706941
2-pyrrolidin-2-ylthieno[2,3-c]pyridine
CID 84672623

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4,5-dibromothiophen-2-yl)pyrrolidine?
The IUPAC name of (2R)-2-(4,5-dibromothiophen-2-yl)pyrrolidine (CID 131001434) is (2R)-2-(4,5-dibromothiophen-2-yl)pyrrolidine.
What is the SMILES notation for (2R)-2-(4,5-dibromothiophen-2-yl)pyrrolidine?
The canonical SMILES for (2R)-2-(4,5-dibromothiophen-2-yl)pyrrolidine is Brc1cc([C@H]2CCCN2)sc1Br.
What is the InChIKey of (2R)-2-(4,5-dibromothiophen-2-yl)pyrrolidine?
The InChIKey is SZJUGWVNSNTABO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H9Br2NS/c9-5-4-7(12-8(5)10)6-2-1-3-11-6/h4,6,11H,1-3H2/t6-/m1/s1.
What are the key properties of (2R)-2-(4,5-dibromothiophen-2-yl)pyrrolidine?
(2R)-2-(4,5-dibromothiophen-2-yl)pyrrolidine has a molecular weight of 311.04 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4,5-dibromothiophen-2-yl)pyrrolidine is sourced from PubChem (CID 131001434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).