2-[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol

C11H16BrNOS — CID 115648359

IUPAC2-[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(Cc2ccc(Br)s2)C1
InChIInChI=1S/C11H16BrNOS/c12-11-2-1-10(15-11)8-13-5-3-9(7-13)4-6-14/h1-2,9,14H,3-8H2
InChIKeyGKYGHTRGMKOHJE-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.71
Rot. Bonds4

About 2-[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol

2-[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol (PubChem CID 115648359) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 2-[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol
PubChem CID115648359
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name2-[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(Cc2ccc(Br)s2)C1
InChIInChI=1S/C11H16BrNOS/c12-11-2-1-10(15-11)8-13-5-3-9(7-13)4-6-14/h1-2,9,14H,3-8H2
InChIKeyGKYGHTRGMKOHJE-UHFFFAOYSA-N
XLogP2.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromothiophen-2-yl)methyl]-3-ethylpyrrolidine
CID 115688536
2-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648060
1-[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119922215
2-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]acetic acid
CID 79608935
1-[(5-bromothiophen-2-yl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 55219165
1-[(5-bromothiophen-2-yl)methyl]piperidine-3,4-dicarboxylic acid
CID 112568140
1-[(5-bromothiophen-2-yl)methyl]pyrrolidine-3,4-diol
CID 106672227
1-[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanol
CID 103656926
[(3S,4S)-1-[(5-bromothiophen-2-yl)methyl]-3-(dimethylamino)piperidin-4-yl]methanol
CID 91915680
N-[[1-[(5-bromothiophen-2-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 62592209
1-[(5-bromothiophen-2-yl)methyl]-4-(cyclopropylmethyl)piperazine
CID 54944633
N-[[1-[(5-bromothiophen-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 55220494

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol (CID 115648359) is 2-[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol is OCCC1CCN(Cc2ccc(Br)s2)C1.
What is the InChIKey of 2-[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is GKYGHTRGMKOHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c12-11-2-1-10(15-11)8-13-5-3-9(7-13)4-6-14/h1-2,9,14H,3-8H2.
What are the key properties of 2-[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol?
2-[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 290.23 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115648359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).