1-[(5-bromothiophen-2-yl)methyl]-5-methylpyrrolidin-3-ol

C10H14BrNOS — CID 130993389

IUPAC1-[(5-bromothiophen-2-yl)methyl]-5-methylpyrrolidin-3-ol
SMILESCC1CC(O)CN1Cc1ccc(Br)s1
InChIInChI=1S/C10H14BrNOS/c1-7-4-8(13)5-12(7)6-9-2-3-10(11)14-9/h2-3,7-8,13H,4-6H2,1H3
InChIKeyZXJVRXUTNISYRC-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.47
Rot. Bonds2

About 1-[(5-bromothiophen-2-yl)methyl]-5-methylpyrrolidin-3-ol

1-[(5-bromothiophen-2-yl)methyl]-5-methylpyrrolidin-3-ol (PubChem CID 130993389) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]-5-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]-5-methylpyrrolidin-3-ol
PubChem CID130993389
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]-5-methylpyrrolidin-3-ol
SMILESCC1CC(O)CN1Cc1ccc(Br)s1
InChIInChI=1S/C10H14BrNOS/c1-7-4-8(13)5-12(7)6-9-2-3-10(11)14-9/h2-3,7-8,13H,4-6H2,1H3
InChIKeyZXJVRXUTNISYRC-UHFFFAOYSA-N
XLogP2.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromothiophen-2-yl)methyl]pyrrolidine-3,4-diol
CID 106672227
(3R,5S)-5-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol
CID 171774639
4-[(5-bromothiophen-2-yl)methyl]-5-methyl-1,4-thiazepane
CID 130964381
1-[(5-bromothiophen-2-yl)methyl]-5-methyl-2-propylpiperazine
CID 64846473
4-[(5-bromothiophen-2-yl)methyl]-1-ethyl-2-methylpiperazine
CID 63635018
1-[(5-bromothiophen-2-yl)methyl]-3-butan-2-yl-7-methyl-1,4-diazepane
CID 64870754
(2S)-4-[(5-bromothiophen-2-yl)methyl]-2-methylpiperazine-1-carboxylate
CID 86634994
(2S)-4-[(5-bromothiophen-2-yl)methyl]-2-methylpiperazine-1-carboxylic acid
CID 68892622
methyl (2S,4S)-1-[(5-chlorothiophen-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 71850550
[(2S)-1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 78942538
1-[(6-chloropyridazin-3-yl)methyl]-5-methylpyrrolidin-3-ol
CID 130965134
1-[1-[(5-bromothiophen-2-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338850

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-5-methylpyrrolidin-3-ol?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-5-methylpyrrolidin-3-ol (CID 130993389) is 1-[(5-bromothiophen-2-yl)methyl]-5-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]-5-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]-5-methylpyrrolidin-3-ol is CC1CC(O)CN1Cc1ccc(Br)s1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]-5-methylpyrrolidin-3-ol?
The InChIKey is ZXJVRXUTNISYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-7-4-8(13)5-12(7)6-9-2-3-10(11)14-9/h2-3,7-8,13H,4-6H2,1H3.
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl]-5-methylpyrrolidin-3-ol?
1-[(5-bromothiophen-2-yl)methyl]-5-methylpyrrolidin-3-ol has a molecular weight of 276.20 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)methyl]-5-methylpyrrolidin-3-ol is sourced from PubChem (CID 130993389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).