(5-bromo-2-methylthiophen-3-yl)-(2-methylcyclopentyl)methanone

C12H15BrOS — CID 107176586

IUPAC(5-bromo-2-methylthiophen-3-yl)-(2-methylcyclopentyl)methanone
SMILESCc1sc(Br)cc1C(=O)C1CCCC1C
InChIInChI=1S/C12H15BrOS/c1-7-4-3-5-9(7)12(14)10-6-11(13)15-8(10)2/h6-7,9H,3-5H2,1-2H3
InChIKeyYITQPAVMGVITBU-UHFFFAOYSA-N
MW287.22 g/mol
LogP4.44
Rot. Bonds2

About (5-bromo-2-methylthiophen-3-yl)-(2-methylcyclopentyl)methanone

(5-bromo-2-methylthiophen-3-yl)-(2-methylcyclopentyl)methanone (PubChem CID 107176586) has the molecular formula C12H15BrOS and a molecular weight of 287.22 g/mol. Its IUPAC name is (5-bromo-2-methylthiophen-3-yl)-(2-methylcyclopentyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-methylthiophen-3-yl)-(2-methylcyclopentyl)methanone
PubChem CID107176586
Molecular FormulaC12H15BrOS
Molecular Weight287.22 g/mol
Exact Mass286.00
IUPAC Name(5-bromo-2-methylthiophen-3-yl)-(2-methylcyclopentyl)methanone
SMILESCc1sc(Br)cc1C(=O)C1CCCC1C
InChIInChI=1S/C12H15BrOS/c1-7-4-3-5-9(7)12(14)10-6-11(13)15-8(10)2/h6-7,9H,3-5H2,1-2H3
InChIKeyYITQPAVMGVITBU-UHFFFAOYSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylthiophen-3-yl)-(2-methylcyclopentyl)methanone?
The IUPAC name of (5-bromo-2-methylthiophen-3-yl)-(2-methylcyclopentyl)methanone (CID 107176586) is (5-bromo-2-methylthiophen-3-yl)-(2-methylcyclopentyl)methanone.
What is the SMILES notation for (5-bromo-2-methylthiophen-3-yl)-(2-methylcyclopentyl)methanone?
The canonical SMILES for (5-bromo-2-methylthiophen-3-yl)-(2-methylcyclopentyl)methanone is Cc1sc(Br)cc1C(=O)C1CCCC1C.
What is the InChIKey of (5-bromo-2-methylthiophen-3-yl)-(2-methylcyclopentyl)methanone?
The InChIKey is YITQPAVMGVITBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrOS/c1-7-4-3-5-9(7)12(14)10-6-11(13)15-8(10)2/h6-7,9H,3-5H2,1-2H3.
What are the key properties of (5-bromo-2-methylthiophen-3-yl)-(2-methylcyclopentyl)methanone?
(5-bromo-2-methylthiophen-3-yl)-(2-methylcyclopentyl)methanone has a molecular weight of 287.22 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylthiophen-3-yl)-(2-methylcyclopentyl)methanone is sourced from PubChem (CID 107176586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).