2-[(5-bromothiophen-2-yl)methoxymethyl]pyrrolidine

C10H14BrNOS — CID 62335092

IUPAC2-[(5-bromothiophen-2-yl)methoxymethyl]pyrrolidine
SMILESBrc1ccc(COCC2CCCN2)s1
InChIInChI=1S/C10H14BrNOS/c11-10-4-3-9(14-10)7-13-6-8-2-1-5-12-8/h3-4,8,12H,1-2,5-7H2
InChIKeyLDZAZXDZOYKPCD-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.78
Rot. Bonds4

About 2-[(5-bromothiophen-2-yl)methoxymethyl]pyrrolidine

2-[(5-bromothiophen-2-yl)methoxymethyl]pyrrolidine (PubChem CID 62335092) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methoxymethyl]pyrrolidine.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methoxymethyl]pyrrolidine
PubChem CID62335092
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name2-[(5-bromothiophen-2-yl)methoxymethyl]pyrrolidine
SMILESBrc1ccc(COCC2CCCN2)s1
InChIInChI=1S/C10H14BrNOS/c11-10-4-3-9(14-10)7-13-6-8-2-1-5-12-8/h3-4,8,12H,1-2,5-7H2
InChIKeyLDZAZXDZOYKPCD-UHFFFAOYSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromothiophen-2-yl)methyl]piperidine
CID 63086364
(2S)-2-(thiophen-2-ylmethoxymethyl)pyrrolidine
CID 102820124
2-[(3-bromophenyl)methoxymethyl]pyrrolidine
CID 62333428
(2S)-2-[(4-methylphenyl)methoxymethyl]pyrrolidine
CID 35753990
[4-(pyrrolidin-2-ylmethoxymethyl)phenyl]methanol
CID 106937811
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605584
4-(pyrrolidin-2-ylmethoxymethyl)pyridine;hydrochloride
CID 71637002
2-(5-bromothiophen-2-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 115209420
5-bromo-N-[[(2R)-pyrrolidin-2-yl]methyl]thiophene-2-sulfonamide
CID 94479341
N-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-2-piperidin-2-ylethanamine
CID 115211198
2-(5-bromothiophen-2-yl)-1-pyrrolidin-2-ylethanol
CID 106639985
(2S)-2-[(3,4-dichlorophenyl)methoxymethyl]pyrrolidine
CID 35754010

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methoxymethyl]pyrrolidine?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methoxymethyl]pyrrolidine (CID 62335092) is 2-[(5-bromothiophen-2-yl)methoxymethyl]pyrrolidine.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methoxymethyl]pyrrolidine?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methoxymethyl]pyrrolidine is Brc1ccc(COCC2CCCN2)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methoxymethyl]pyrrolidine?
The InChIKey is LDZAZXDZOYKPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c11-10-4-3-9(14-10)7-13-6-8-2-1-5-12-8/h3-4,8,12H,1-2,5-7H2.
What are the key properties of 2-[(5-bromothiophen-2-yl)methoxymethyl]pyrrolidine?
2-[(5-bromothiophen-2-yl)methoxymethyl]pyrrolidine has a molecular weight of 276.20 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methoxymethyl]pyrrolidine is sourced from PubChem (CID 62335092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).