(4-bromothiophen-3-yl)-(1-methoxycyclopentyl)methanone

C11H13BrO2S — CID 104610162

IUPAC(4-bromothiophen-3-yl)-(1-methoxycyclopentyl)methanone
SMILESCOC1(C(=O)c2cscc2Br)CCCC1
InChIInChI=1S/C11H13BrO2S/c1-14-11(4-2-3-5-11)10(13)8-6-15-7-9(8)12/h6-7H,2-5H2,1H3
InChIKeyDZRQTRVYGOLULL-UHFFFAOYSA-N
MW289.19 g/mol
LogP3.65
Rot. Bonds3

About (4-bromothiophen-3-yl)-(1-methoxycyclopentyl)methanone

(4-bromothiophen-3-yl)-(1-methoxycyclopentyl)methanone (PubChem CID 104610162) has the molecular formula C11H13BrO2S and a molecular weight of 289.19 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(1-methoxycyclopentyl)methanone.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(1-methoxycyclopentyl)methanone
PubChem CID104610162
Molecular FormulaC11H13BrO2S
Molecular Weight289.19 g/mol
Exact Mass287.98
IUPAC Name(4-bromothiophen-3-yl)-(1-methoxycyclopentyl)methanone
SMILESCOC1(C(=O)c2cscc2Br)CCCC1
InChIInChI=1S/C11H13BrO2S/c1-14-11(4-2-3-5-11)10(13)8-6-15-7-9(8)12/h6-7H,2-5H2,1H3
InChIKeyDZRQTRVYGOLULL-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(1-methoxycyclopentyl)methanone?
The IUPAC name of (4-bromothiophen-3-yl)-(1-methoxycyclopentyl)methanone (CID 104610162) is (4-bromothiophen-3-yl)-(1-methoxycyclopentyl)methanone.
What is the SMILES notation for (4-bromothiophen-3-yl)-(1-methoxycyclopentyl)methanone?
The canonical SMILES for (4-bromothiophen-3-yl)-(1-methoxycyclopentyl)methanone is COC1(C(=O)c2cscc2Br)CCCC1.
What is the InChIKey of (4-bromothiophen-3-yl)-(1-methoxycyclopentyl)methanone?
The InChIKey is DZRQTRVYGOLULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2S/c1-14-11(4-2-3-5-11)10(13)8-6-15-7-9(8)12/h6-7H,2-5H2,1H3.
What are the key properties of (4-bromothiophen-3-yl)-(1-methoxycyclopentyl)methanone?
(4-bromothiophen-3-yl)-(1-methoxycyclopentyl)methanone has a molecular weight of 289.19 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(1-methoxycyclopentyl)methanone is sourced from PubChem (CID 104610162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).