2-(3-bromothiophen-2-yl)-1-(2-methylpyrrolidin-2-yl)ethanone

C11H14BrNOS — CID 116580567

IUPAC2-(3-bromothiophen-2-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
SMILESCC1(C(=O)Cc2sccc2Br)CCCN1
InChIInChI=1S/C11H14BrNOS/c1-11(4-2-5-13-11)10(14)7-9-8(12)3-6-15-9/h3,6,13H,2,4-5,7H2,1H3
InChIKeyJXZDFGPSKQDNAW-UHFFFAOYSA-N
MW288.21 g/mol
LogP2.76
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-1-(2-methylpyrrolidin-2-yl)ethanone

2-(3-bromothiophen-2-yl)-1-(2-methylpyrrolidin-2-yl)ethanone (PubChem CID 116580567) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(2-methylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
PubChem CID116580567
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC Name2-(3-bromothiophen-2-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
SMILESCC1(C(=O)Cc2sccc2Br)CCCN1
InChIInChI=1S/C11H14BrNOS/c1-11(4-2-5-13-11)10(14)7-9-8(12)3-6-15-9/h3,6,13H,2,4-5,7H2,1H3
InChIKeyJXZDFGPSKQDNAW-UHFFFAOYSA-N
XLogP2.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromothiophen-2-yl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580442
2-(3-bromothiophen-2-yl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568661
2-(3-bromothiophen-2-yl)-1-[1-(diethylamino)cyclopentyl]ethanone
CID 79070320
2-(3-bromothiophen-2-yl)-1-(1-hydroxycyclohexyl)ethanone
CID 103449535
2-(3-bromothiophen-2-yl)-1-(1-methoxycycloheptyl)ethanone
CID 116750399
2-(3-bromothiophen-2-yl)-1-(3,5-dimethyl-1-adamantyl)ethanone
CID 79995869
2-(3-bromothiophen-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982360
2-(4-ethylphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580447
2-(2,6-dichlorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580405
1-(2-methylpyrrolidin-2-yl)-2-naphthalen-1-ylethanone
CID 116580409
2-[(3-bromothiophen-2-yl)methyl]-2-tert-butylpyrrolidine
CID 66466751
2-(furan-3-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580591

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(2-methylpyrrolidin-2-yl)ethanone?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(2-methylpyrrolidin-2-yl)ethanone (CID 116580567) is 2-(3-bromothiophen-2-yl)-1-(2-methylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(2-methylpyrrolidin-2-yl)ethanone?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(2-methylpyrrolidin-2-yl)ethanone is CC1(C(=O)Cc2sccc2Br)CCCN1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(2-methylpyrrolidin-2-yl)ethanone?
The InChIKey is JXZDFGPSKQDNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOS/c1-11(4-2-5-13-11)10(14)7-9-8(12)3-6-15-9/h3,6,13H,2,4-5,7H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(2-methylpyrrolidin-2-yl)ethanone?
2-(3-bromothiophen-2-yl)-1-(2-methylpyrrolidin-2-yl)ethanone has a molecular weight of 288.21 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(2-methylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 116580567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).