(3-bromothiophen-2-yl)-(2-ethylpyrrolidin-1-yl)methanone

C11H14BrNOS — CID 63086030

IUPAC(3-bromothiophen-2-yl)-(2-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCCN1C(=O)c1sccc1Br
InChIInChI=1S/C11H14BrNOS/c1-2-8-4-3-6-13(8)11(14)10-9(12)5-7-15-10/h5,7-8H,2-4,6H2,1H3
InChIKeyZSCQYIGTRLAHBZ-UHFFFAOYSA-N
MW288.21 g/mol
LogP3.53
Rot. Bonds2

About (3-bromothiophen-2-yl)-(2-ethylpyrrolidin-1-yl)methanone

(3-bromothiophen-2-yl)-(2-ethylpyrrolidin-1-yl)methanone (PubChem CID 63086030) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(2-ethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(2-ethylpyrrolidin-1-yl)methanone
PubChem CID63086030
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC Name(3-bromothiophen-2-yl)-(2-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCCN1C(=O)c1sccc1Br
InChIInChI=1S/C11H14BrNOS/c1-2-8-4-3-6-13(8)11(14)10-9(12)5-7-15-10/h5,7-8H,2-4,6H2,1H3
InChIKeyZSCQYIGTRLAHBZ-UHFFFAOYSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromothiophen-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261291
(2R,3R)-1-(3-bromothiophene-2-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122115284
1-(3-bromothiophene-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 63374706
1-(3-bromothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 43795192
(2-ethylazepan-1-yl)-[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methanone
CID 104691234
(2R)-1-(3-bromothiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 79034454
(2-ethylpiperidin-1-yl)-[3-(4-hydroxybut-1-ynyl)thiophen-2-yl]methanone
CID 63797281
3-bromo-N-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thiophene-2-carboxamide
CID 119034216
(3-ethylthiophen-2-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636453
(3-bromo-4-methylphenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 79458333
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-bromothiophen-2-yl)methanone
CID 112622357
(3-bromophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974699

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(2-ethylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-bromothiophen-2-yl)-(2-ethylpyrrolidin-1-yl)methanone (CID 63086030) is (3-bromothiophen-2-yl)-(2-ethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-bromothiophen-2-yl)-(2-ethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-bromothiophen-2-yl)-(2-ethylpyrrolidin-1-yl)methanone is CCC1CCCN1C(=O)c1sccc1Br.
What is the InChIKey of (3-bromothiophen-2-yl)-(2-ethylpyrrolidin-1-yl)methanone?
The InChIKey is ZSCQYIGTRLAHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOS/c1-2-8-4-3-6-13(8)11(14)10-9(12)5-7-15-10/h5,7-8H,2-4,6H2,1H3.
What are the key properties of (3-bromothiophen-2-yl)-(2-ethylpyrrolidin-1-yl)methanone?
(3-bromothiophen-2-yl)-(2-ethylpyrrolidin-1-yl)methanone has a molecular weight of 288.21 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(2-ethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 63086030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).