(5-bromothiophen-2-yl)-cyclooctylmethanone

C13H17BrOS — CID 65018784

IUPAC(5-bromothiophen-2-yl)-cyclooctylmethanone
SMILESO=C(c1ccc(Br)s1)C1CCCCCCC1
InChIInChI=1S/C13H17BrOS/c14-12-9-8-11(16-12)13(15)10-6-4-2-1-3-5-7-10/h8-10H,1-7H2
InChIKeyRVKUMDIKUHXLBB-UHFFFAOYSA-N
MW301.25 g/mol
LogP5.05
Rot. Bonds2

About (5-bromothiophen-2-yl)-cyclooctylmethanone

(5-bromothiophen-2-yl)-cyclooctylmethanone (PubChem CID 65018784) has the molecular formula C13H17BrOS and a molecular weight of 301.25 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-cyclooctylmethanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-cyclooctylmethanone
PubChem CID65018784
Molecular FormulaC13H17BrOS
Molecular Weight301.25 g/mol
Exact Mass300.02
IUPAC Name(5-bromothiophen-2-yl)-cyclooctylmethanone
SMILESO=C(c1ccc(Br)s1)C1CCCCCCC1
InChIInChI=1S/C13H17BrOS/c14-12-9-8-11(16-12)13(15)10-6-4-2-1-3-5-7-10/h8-10H,1-7H2
InChIKeyRVKUMDIKUHXLBB-UHFFFAOYSA-N
XLogP5.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.25
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromothiophen-2-yl)-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]methanone;hydrochloride
CID 46197126
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]cyclohexanecarboxamide
CID 6386438
(5-bromothiophen-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79921875
5-bromothiophene-2-carboxylic acid;tricyclohexylstannane
CID 175022790
2-[(5-bromothiophene-2-carbonyl)amino]-2-cyclohexylacetic acid
CID 54901538
(4-bromo-5-methylthiophen-2-yl)-cycloheptylmethanone
CID 102826592
cycloheptyl-(2,5-dibromothiophen-3-yl)methanone
CID 63491664
cyclooctyl-(2,5-dibromothiophen-3-yl)methanone
CID 65018538
1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-one
CID 61103392
[2-(1-aminoethyl)piperidin-1-yl]-(5-bromothiophen-2-yl)methanone
CID 55169920
5-(cyclopropanecarbonyl)thiophene-2-carboxylic acid
CID 84720733
(5-bromothiophen-2-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421504

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-cyclooctylmethanone?
The IUPAC name of (5-bromothiophen-2-yl)-cyclooctylmethanone (CID 65018784) is (5-bromothiophen-2-yl)-cyclooctylmethanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-cyclooctylmethanone?
The canonical SMILES for (5-bromothiophen-2-yl)-cyclooctylmethanone is O=C(c1ccc(Br)s1)C1CCCCCCC1.
What is the InChIKey of (5-bromothiophen-2-yl)-cyclooctylmethanone?
The InChIKey is RVKUMDIKUHXLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrOS/c14-12-9-8-11(16-12)13(15)10-6-4-2-1-3-5-7-10/h8-10H,1-7H2.
What are the key properties of (5-bromothiophen-2-yl)-cyclooctylmethanone?
(5-bromothiophen-2-yl)-cyclooctylmethanone has a molecular weight of 301.25 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-cyclooctylmethanone is sourced from PubChem (CID 65018784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).