2-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol

C11H16BrNOS — CID 115648060

IUPAC2-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(Cc2cc(Br)cs2)C1
InChIInChI=1S/C11H16BrNOS/c12-10-5-11(15-8-10)7-13-3-1-9(6-13)2-4-14/h5,8-9,14H,1-4,6-7H2
InChIKeyRJXYEHJOGVKHRQ-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.71
Rot. Bonds4

About 2-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol

2-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol (PubChem CID 115648060) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 2-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol
PubChem CID115648060
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name2-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(Cc2cc(Br)cs2)C1
InChIInChI=1S/C11H16BrNOS/c12-10-5-11(15-8-10)7-13-3-1-9(6-13)2-4-14/h5,8-9,14H,1-4,6-7H2
InChIKeyRJXYEHJOGVKHRQ-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

[(3R)-1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]methanol
CID 30842680
1-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119922124
1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917618
2-[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648359
1-[(4-bromothiophen-2-yl)methyl]-3-ethylpiperidin-4-ol
CID 114510889
(3R)-1-[(4-bromothiophen-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 129368760
N-[[1-[(4-bromothiophen-2-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928141
1-[(4-bromothiophen-2-yl)methyl]piperidin-4-ol;oxalic acid
CID 45156056
1-[1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]ethanone
CID 63846149
3-[5-[[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 164636856
1-[(4-bromothiophen-2-yl)methyl]-4-methylpyrrolidin-3-ol
CID 130770047
1-[1-[(4-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanamine
CID 63594782

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol (CID 115648060) is 2-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol is OCCC1CCN(Cc2cc(Br)cs2)C1.
What is the InChIKey of 2-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is RJXYEHJOGVKHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c12-10-5-11(15-8-10)7-13-3-1-9(6-13)2-4-14/h5,8-9,14H,1-4,6-7H2.
What are the key properties of 2-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol?
2-[1-[(4-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-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115648060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).