(4-bromothiophen-3-yl)-(2-methylcyclopentyl)methanone

C11H13BrOS — CID 107187237

IUPAC(4-bromothiophen-3-yl)-(2-methylcyclopentyl)methanone
SMILESCC1CCCC1C(=O)c1cscc1Br
InChIInChI=1S/C11H13BrOS/c1-7-3-2-4-8(7)11(13)9-5-14-6-10(9)12/h5-8H,2-4H2,1H3
InChIKeyPMSRHRJNVFUQOK-UHFFFAOYSA-N
MW273.19 g/mol
LogP4.13
Rot. Bonds2

About (4-bromothiophen-3-yl)-(2-methylcyclopentyl)methanone

(4-bromothiophen-3-yl)-(2-methylcyclopentyl)methanone (PubChem CID 107187237) has the molecular formula C11H13BrOS and a molecular weight of 273.19 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(2-methylcyclopentyl)methanone.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(2-methylcyclopentyl)methanone
PubChem CID107187237
Molecular FormulaC11H13BrOS
Molecular Weight273.19 g/mol
Exact Mass271.99
IUPAC Name(4-bromothiophen-3-yl)-(2-methylcyclopentyl)methanone
SMILESCC1CCCC1C(=O)c1cscc1Br
InChIInChI=1S/C11H13BrOS/c1-7-3-2-4-8(7)11(13)9-5-14-6-10(9)12/h5-8H,2-4H2,1H3
InChIKeyPMSRHRJNVFUQOK-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(2-methylcyclopentyl)methanone?
The IUPAC name of (4-bromothiophen-3-yl)-(2-methylcyclopentyl)methanone (CID 107187237) is (4-bromothiophen-3-yl)-(2-methylcyclopentyl)methanone.
What is the SMILES notation for (4-bromothiophen-3-yl)-(2-methylcyclopentyl)methanone?
The canonical SMILES for (4-bromothiophen-3-yl)-(2-methylcyclopentyl)methanone is CC1CCCC1C(=O)c1cscc1Br.
What is the InChIKey of (4-bromothiophen-3-yl)-(2-methylcyclopentyl)methanone?
The InChIKey is PMSRHRJNVFUQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrOS/c1-7-3-2-4-8(7)11(13)9-5-14-6-10(9)12/h5-8H,2-4H2,1H3.
What are the key properties of (4-bromothiophen-3-yl)-(2-methylcyclopentyl)methanone?
(4-bromothiophen-3-yl)-(2-methylcyclopentyl)methanone has a molecular weight of 273.19 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(2-methylcyclopentyl)methanone is sourced from PubChem (CID 107187237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).