2-(5-chlorothiophen-2-yl)-1-(cyclopenten-1-yl)ethanone

C11H11ClOS — CID 103447988

IUPAC2-(5-chlorothiophen-2-yl)-1-(cyclopenten-1-yl)ethanone
SMILESO=C(Cc1ccc(Cl)s1)C1=CCCC1
InChIInChI=1S/C11H11ClOS/c12-11-6-5-9(14-11)7-10(13)8-3-1-2-4-8/h3,5-6H,1-2,4,7H2
InChIKeyFVWAUNUFGMHTQF-UHFFFAOYSA-N
MW226.73 g/mol
LogP3.62
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-1-(cyclopenten-1-yl)ethanone

2-(5-chlorothiophen-2-yl)-1-(cyclopenten-1-yl)ethanone (PubChem CID 103447988) has the molecular formula C11H11ClOS and a molecular weight of 226.73 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(cyclopenten-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(cyclopenten-1-yl)ethanone
PubChem CID103447988
Molecular FormulaC11H11ClOS
Molecular Weight226.73 g/mol
Exact Mass226.02
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(cyclopenten-1-yl)ethanone
SMILESO=C(Cc1ccc(Cl)s1)C1=CCCC1
InChIInChI=1S/C11H11ClOS/c12-11-6-5-9(14-11)7-10(13)8-3-1-2-4-8/h3,5-6H,1-2,4,7H2
InChIKeyFVWAUNUFGMHTQF-UHFFFAOYSA-N
XLogP3.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorothiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanone
CID 114967489
1-(cyclohepten-1-yl)-2-thiophen-2-ylethanone
CID 103450496
2-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)ethanone
CID 55096306
2-(1,3-benzodioxol-5-yl)-1-(cyclopenten-1-yl)ethanone
CID 168896138
2-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 114967457
2-(5-chlorothiophen-2-yl)-1-(1-methylcyclohexyl)ethanone
CID 106829545
2-[5-[[(5-chlorothiophen-2-yl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82894964
1-(4-bromo-2,6-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethanone
CID 114967511
1-[1-(aminomethyl)cyclobutyl]-2-(5-chlorothiophen-2-yl)ethanone
CID 116600380
1-(3-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanone
CID 62620401
1-(3-bicyclo[3.1.0]hexanyl)-2-(5-chlorothiophen-2-yl)ethanone
CID 114967512
1-[(1E)-cycloocten-1-yl]-2-(4-methylphenyl)ethanone
CID 106651792

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(cyclopenten-1-yl)ethanone?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(cyclopenten-1-yl)ethanone (CID 103447988) is 2-(5-chlorothiophen-2-yl)-1-(cyclopenten-1-yl)ethanone.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(cyclopenten-1-yl)ethanone?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(cyclopenten-1-yl)ethanone is O=C(Cc1ccc(Cl)s1)C1=CCCC1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(cyclopenten-1-yl)ethanone?
The InChIKey is FVWAUNUFGMHTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClOS/c12-11-6-5-9(14-11)7-10(13)8-3-1-2-4-8/h3,5-6H,1-2,4,7H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(cyclopenten-1-yl)ethanone?
2-(5-chlorothiophen-2-yl)-1-(cyclopenten-1-yl)ethanone has a molecular weight of 226.73 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-(cyclopenten-1-yl)ethanone is sourced from PubChem (CID 103447988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).