(2-bromothiophen-3-yl)-cyclopentylmethanone

C10H11BrOS — CID 164654275

IUPAC(2-bromothiophen-3-yl)-cyclopentylmethanone
SMILESO=C(c1ccsc1Br)C1CCCC1
InChIInChI=1S/C10H11BrOS/c11-10-8(5-6-13-10)9(12)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyFYGWIIUQSUMOFZ-UHFFFAOYSA-N
MW259.17 g/mol
LogP3.88
Rot. Bonds2

About (2-bromothiophen-3-yl)-cyclopentylmethanone

(2-bromothiophen-3-yl)-cyclopentylmethanone (PubChem CID 164654275) has the molecular formula C10H11BrOS and a molecular weight of 259.17 g/mol. Its IUPAC name is (2-bromothiophen-3-yl)-cyclopentylmethanone.

Molecular Properties

Compound Name(2-bromothiophen-3-yl)-cyclopentylmethanone
PubChem CID164654275
Molecular FormulaC10H11BrOS
Molecular Weight259.17 g/mol
Exact Mass257.97
IUPAC Name(2-bromothiophen-3-yl)-cyclopentylmethanone
SMILESO=C(c1ccsc1Br)C1CCCC1
InChIInChI=1S/C10H11BrOS/c11-10-8(5-6-13-10)9(12)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyFYGWIIUQSUMOFZ-UHFFFAOYSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.17
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cycloheptyl-(2,5-dibromothiophen-3-yl)methanone
CID 63491664
cyclooctyl-(2,5-dibromothiophen-3-yl)methanone
CID 65018538
(2-bromofuran-3-yl)-cyclopentylmethanone
CID 106856555
(2-amino-4-bromophenyl)-cyclopentylmethanone
CID 116591688
(3-chlorothiophen-2-yl)-cyclopentylmethanone
CID 80530065
(2-amino-5-bromophenyl)-cyclopentylmethanone
CID 66998843
cyclopentyl-(3-ethylthiophen-2-yl)methanone
CID 114962290
(7-bromo-1-benzothiophen-3-yl)-cycloheptylmethanone
CID 81142341
(2-bromo-4-fluorophenyl)-cyclohexylmethanone
CID 114962193
(5-bromo-2-fluorophenyl)-cyclohexylmethanone
CID 79742820
(3-bromo-2-methylphenyl)-cyclohexylmethanone
CID 114962200
(5-bromothiophen-3-yl)-cyclohexylmethanone
CID 105076809

Frequently Asked Questions

What is the IUPAC name of (2-bromothiophen-3-yl)-cyclopentylmethanone?
The IUPAC name of (2-bromothiophen-3-yl)-cyclopentylmethanone (CID 164654275) is (2-bromothiophen-3-yl)-cyclopentylmethanone.
What is the SMILES notation for (2-bromothiophen-3-yl)-cyclopentylmethanone?
The canonical SMILES for (2-bromothiophen-3-yl)-cyclopentylmethanone is O=C(c1ccsc1Br)C1CCCC1.
What is the InChIKey of (2-bromothiophen-3-yl)-cyclopentylmethanone?
The InChIKey is FYGWIIUQSUMOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrOS/c11-10-8(5-6-13-10)9(12)7-3-1-2-4-7/h5-7H,1-4H2.
What are the key properties of (2-bromothiophen-3-yl)-cyclopentylmethanone?
(2-bromothiophen-3-yl)-cyclopentylmethanone has a molecular weight of 259.17 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromothiophen-3-yl)-cyclopentylmethanone is sourced from PubChem (CID 164654275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).