1-(5-bromo-4-methylthiophen-2-yl)-2-(cyclopenten-1-yl)ethanone

C12H13BrOS — CID 130961567

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-2-(cyclopenten-1-yl)ethanone
SMILESCc1cc(C(=O)CC2=CCCC2)sc1Br
InChIInChI=1S/C12H13BrOS/c1-8-6-11(15-12(8)13)10(14)7-9-4-2-3-5-9/h4,6H,2-3,5,7H2,1H3
InChIKeyRNBNZOFDSMPXIC-UHFFFAOYSA-N
MW285.21 g/mol
LogP4.50
Rot. Bonds3

About 1-(5-bromo-4-methylthiophen-2-yl)-2-(cyclopenten-1-yl)ethanone

1-(5-bromo-4-methylthiophen-2-yl)-2-(cyclopenten-1-yl)ethanone (PubChem CID 130961567) has the molecular formula C12H13BrOS and a molecular weight of 285.21 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-2-(cyclopenten-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-2-(cyclopenten-1-yl)ethanone
PubChem CID130961567
Molecular FormulaC12H13BrOS
Molecular Weight285.21 g/mol
Exact Mass283.99
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-2-(cyclopenten-1-yl)ethanone
SMILESCc1cc(C(=O)CC2=CCCC2)sc1Br
InChIInChI=1S/C12H13BrOS/c1-8-6-11(15-12(8)13)10(14)7-9-4-2-3-5-9/h4,6H,2-3,5,7H2,1H3
InChIKeyRNBNZOFDSMPXIC-UHFFFAOYSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.21
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-(5-bromo-4-methylthiophen-2-yl)ethanone
CID 79997206
1-(5-bromo-4-methylthiophen-2-yl)-2-(4-fluorophenyl)ethanone
CID 79989856
2-(cyclopenten-1-yl)-1-(5-methyl-2-pyridinyl)ethanone
CID 130917901
1-(5-bromo-4-methylthiophen-2-yl)-2-ethoxyethanone
CID 115782885
1-(5-bromo-4-methylthiophen-2-yl)-2-pyridin-2-ylethanone
CID 79989868
2-(cyclohexen-1-yl)-1-(2,5-dimethylphenyl)ethanone
CID 116659694
4-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 79996886
1-(5-bromo-4-methylthiophen-2-yl)octan-1-one
CID 79997565
5-(5-bromo-4-methylthiophen-2-yl)-3,3-dimethyl-5-oxopentanoic acid
CID 79997573
2-(cyclohexen-1-yl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 116659700
1-(3-chloro-4-methylphenyl)-2-(cyclohexen-1-yl)ethanone
CID 107559942
2-(cyclohexen-1-yl)-1-(4-methylphenyl)ethanone
CID 116659602

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-2-(cyclopenten-1-yl)ethanone?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-2-(cyclopenten-1-yl)ethanone (CID 130961567) is 1-(5-bromo-4-methylthiophen-2-yl)-2-(cyclopenten-1-yl)ethanone.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-2-(cyclopenten-1-yl)ethanone?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-2-(cyclopenten-1-yl)ethanone is Cc1cc(C(=O)CC2=CCCC2)sc1Br.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-2-(cyclopenten-1-yl)ethanone?
The InChIKey is RNBNZOFDSMPXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrOS/c1-8-6-11(15-12(8)13)10(14)7-9-4-2-3-5-9/h4,6H,2-3,5,7H2,1H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-2-(cyclopenten-1-yl)ethanone?
1-(5-bromo-4-methylthiophen-2-yl)-2-(cyclopenten-1-yl)ethanone has a molecular weight of 285.21 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)-2-(cyclopenten-1-yl)ethanone is sourced from PubChem (CID 130961567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).